化工社化工社 化学情報印刷レポート · 研究参考用
ベンゾトリクロリド
ベンゾトリクロリド · α,α,α-トリクロロトルエン · (トリクロロメチル)ベンゼン · フェニルクロロホルム · 1-(トリクロロメチル)ベンゼン · フェニルトリクロロメタン · ベンジリジン=トリクロリド · トリクロロフェニルメタン
識別子と物理属性
| CAS No. | 30583-33-6 |
|---|---|
| 分子式 | C7H5Cl3 |
| 平均分子量 | 195.5 g/mol |
| 単同位体質量 | 193.945683 g/mol |
| SMILES | ClC(Cl)(Cl)c1ccccc1 |
| InChIKey | XEMRAKSQROQPBR-UHFFFAOYSA-N |
| PubChem CID | 7367 |
| ChEMBL | CHEMBL1347516 |
| ChEBI | CHEBI:82274 |
| EC No. | 202-634-5 |
| DTXSID | DTXSID1020148 |
| 現地名 | ベンゾトリクロリド |
化学・物理的性質
| XLogP | 3.7 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 99 |
| LogP（分配係数） | log Kow= 2.92 |
| 臭い | PENETRATING浸透臭 |
| 密度 | 1.3756 at 68 °F (EPA, 1998) - Denser than waterwill sink1.3756 AT 20 °C/4 °CRelative density (water = 1): 1.41.3723 @ 20°C1.38 g/mL at 25 °C(lit.) |
| Viscosity | Dynamic viscosity = 2.40 mPa.s @ 20 °C1.7 mm²/s at 20 °C |
| Color/Form | CLEAR, COLORLESS TO YELLOWISH LIQUIDOILY LIQUID |
| 溶解度 | Decomposes (NTP, 1992)... Soluble in ... diethyl ether ... .Water solubility = 53 mg/L at 5 °CSolubility in water: reactionアルコール：可溶加水分解 |
| 引火点 | 260 °F (EPA, 1998)260 °F (127 °C) (CLOSED CUP)> 247 °C (Cleveland open cup)108 °C c.c.207 °F |
| 沸点 | 429.4 °F at 760 mmHg (EPA, 1998)220.8 °C AT 760 MM HG129 °C AT 60 MM HG105 °C AT 25 MM HG221 °C221 °C @760 [mm Hg]219-223 °C760 mm Hg(lit.) |
| 融点 | 23 °F (EPA, 1998)-5.0 °C-5 °C-4.42 °C−7.5-−7 °C(lit.) |
| 蒸気密度 | 6.77 (EPA, 1998) - Heavier than airwill sink (Relative to Air)6.77 (AIR= 1)Relative vapor density (air = 1): 6.86.77 (vs air) |
| 蒸気圧 | 1 to 10 mmHg at 114.44 to 189.68 °F (EPA, 1998)0.2 [mmHg]Vapor pressure = 1.35 mm Hg @ 50 °C5.4 mm Hg @ 75 °CVapor pressure = 0.4137 mm Hg at 25 °CVapor pressure, Pa at 20 °C: 201-10 mmHg at 114.44-189.68 °F0.2 mm Hg ( 20 °C) |
| Surface Tension | 38.03 mN/m at 20 °C |
| 屈折率 | n20/D 1.557(lit.) |
| 貯蔵条件 | room temp |
| 外観・状態 | 液体 |
| 色 | クリアイエロー |
| Merck | 14,1109 |
| BRN | 508152 |
| ヘンリー定数 | 3.8×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| 誘電率 | 7.4(20℃) |
| 安定性 | 安定していますが、水分に敏感です。強力な酸化剤、湿気とは相容れない。 |
| InChI | 1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H |
| InChIKey | XEMRAKSQROQPBR-UHFFFAOYSA-N |
| SMILES | ClC(Cl)(Cl)c1ccccc1 |
| LogP（分配係数） | 2.92 at 20℃ and pH6 |
| CAS データベース | 98-07-7(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, (trichloromethyl)-(98-07-7) |
| EPAの化学物質情報 | Benzotrichloride (98-07-7) |
化学的特性
Benzotrichloride is a combustible, colorless to yellow-brown, oily liquid that fumes on contact with air. It has a penetrating odor.
安全性と法規制
| GHS 分類 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]H315: Causes skin irritation [Warning Skin corrosion/irritation]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H331: Toxic if inhaled [Danger Acute toxicity, inhalation]H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H350: May cause cancer [Danger Carcinogenicity]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Hazard Traits - CarcinogenicityDermatotoxicityHepatotoxicity and Digestive System ToxicityNeurotoxicityRespiratory ToxicityAuthoritative List - CA TACsEC Annex VI CMRs - Cat. 1BIARC Carcinogens - 2AIRIS Carcinogens - B2NTP RoC - reasonableProp 65Report - regardless of intended function of ingredient in the productStatus: Active Update: 23-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/2060Benzylidyne trichloride: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | This material may react violently with water. Fire may produce irritating or poisonous gases. Flammable/poisonous gases may accumulate in tanks and hopper cars. Materials may ignite combustibles (wood, paper, oil, etc.). Produces toxic and corrosive fumes when it reacts with water or steam. Similar to hydrochloric acidmaterial will react with water or steam to produce toxic and corrosive fumes. Hydrolyzes in presence of water forming benzoic and hydrochloric acids. (EPA, 1998)· Combustible material: may burn but does not ignite readily.· Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapors may travel to source of ignition and flash back.· Corrosives in contact with metals may evolve flammable hydrogen gas.· Containers may explode when heated or if contaminated with water.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 健康有害性 | Toxic by inhalationfumes are highly irritating to skin and mucous membranes. May cause death or permanent injury after very short exposure to small quantities. A suspected carcinogen. (EPA, 1998)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.· Contact with molten substance may cause severe burns to skin and eyes.· Reaction with water or moist air may release toxic, corrosive or flammable gases.· Reaction with water may generate much heat that will increase the concentration of fumes in the air.· Fire will produce irritating, corrosive and/or toxic gases.· Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. |
| 有害性の概要 | Benzotrichloride is used extensively in the dye industry and as an intermediate in the chemical industry. Acute (short-term) exposure to the vapors of benzotrichloride are highly irritating to the skin and mucous membranes. In mice and rats chronically (long-term) exposed by inhalation, proliferative lesions of the respiratory tract have been observed. Human data on the carcinogenic effects of benzotrichloride are inadequate. Increased incidences of tumors at multiple sites have been observed in female mice treated orally, dermally, and by inhalation. EPA has classified benzotrichloride as a Group B2, probable human carcinogen.Exposure of mice and rats to 12.5 ppm for 2 hours causes CNS excitation, eye and respiratory tract irritation, and slowed respiration. Critical Effects are irritationcancer. [ACGIH] Reacts with water to form hydrochloric acidA skin and eye irritantIn inhalation studies, 5/6 rats die after exposure of 125 ppm for 4 hours[CHEMINFO] Burns skin, corrosive to eyes, and risk of lung edema after inhalation[ICSC] In high-dose feeding studies of animals, mild histological changes in the liver occur. [HSDB]See Benzal chloride, Benzyl chloride, 4-Chlorobenzotrichloride, and Benzotrifluoride. |
| 輸送番号・ガイド（DOT） | 2226 156 |
| 反応性グループ | Aryl Halides |
| EC 分類 | Symbol: TR: 45-22-23-37/38-41S: 53-45Note: E |
| UN 分類 | UN Hazard Class: 8UN Pack Group: II |
| Special Reports | Mutsushita HSangyo Igaku (5): 13-19 (1981). Benzotrichloride poisoning and health monitoring are presented.USEPAChemical Hazard Information Profile: Benzotrichloride (Draft) (1982)National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. Benzotrichloride (98-07-7) is listed as reasonably anticipated to be a human carcinogen.[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/profiles/s021benz.pdf] |
| RCRA 要件 | U023As stipulated in 40 CFR 261.33, when benzotrichloride, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5). |
| Reactivity Profile | BENZOTRICHLORIDE hydrolyzes in the presence of moisture. It reacts with water, lime, ammonia, strong alkalis, organic amines, chlorates and acids. (NTP, 1992) |
| 消火 | Wear self-contained breathing apparatus and full protective clothing. Normal fire fighting procedures may be used.Small fires: dry chemical, carbon dioxide, water spray, or foam. Large fires: water spray, fog, or foam. Cool containers that are exposed to flames with water from the side until well after the fire is out. (EPA, 1998)Use dry powder, foam, carbon dioxide. |
| 応急処置措置 | Fresh air, rest. Refer immediately for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Seek medical attention if you feel unwell. |
| 漏出応急措置 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Keep unauthorized personnel away.· Stay upwind, uphill and/or upstream.· Ventilate closed spaces before entering, but only if properly trained and equipped.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.· All equipment used when handling the product must be grounded.· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.· Stop leak if you can do it without risk.· A vapor-suppressing foam may be used to reduce vapors.· FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors.· DO NOT GET WATER on spilled substance or inside containers.· Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material.· Prevent entry into waterways, sewers, basements or confined areas.Small Spill· Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain.· Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. |
| 応急処置 | Warning: Benzotrichloride is a strong irritant. Direct contact may result in severe dermal or corneal burns.Signs and Symptoms of Benzotrichloride Exposure: Signs and symptoms of acute exposure to benzotrichloride may include strong irritation or burning of the eyes, skin, and respiratory tract. It may cause esophageal or gastrointestinal tract irritation if ingested.Emergency Life-Support Procedures: Acute exposure to benzotrichloride may require decontamination and life support for the victims. Emergency personnel should wear protective clothing appropriate to the type and degree of contamination. Air-purifying or supplied-air respiratory equipment should also be worn, as necessary. Rescue vehicles should carry supplies such as plastic sheeting and disposable plastic bags to assist in preventing spread of contamination.Inhalation Exposure:1. Move victims to fresh air. Emergency personnel should avoid self-exposure to benzotrichloride.2. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support.3. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures.4. Rush to a health care facility.Dermal/Eye Exposure:1. Remove victims from exposure. Emergency personnel should avoid self-exposure to benzotrichloride.3. Remove and isolate contaminated clothing as soon as possible.4. If eye exposure has occurred, eyes must be flushed with lukewarm water for at least 15 minutes.5. Wash exposed skin areas thoroughly with soap and water.6. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures.7. Rush to a health care facility.Ingestion Exposure:1. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support to all victims.2. DO NOT induce vomiting or attempt to neutralize!3. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures.General First Aid:· Call 911 or emergency medical service.· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.· Move victim to fresh air if it can be done safely.· Administer oxygen if breathing is difficult.· If victim is not breathing:-- DO NOT perform mouth-to-mouth resuscitationthe victim may have ingested or inhaled the substance.-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.· Remove and isolate contaminated clothing and shoes.· For minor skin contact, avoid spreading material on unaffected skin.· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.· For severe burns, immediate medical attention is required.· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.· Keep victim calm and warm.· Keep victim under observation.· For further assistance, contact your local Poison Control Center.· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.Specific First Aid:· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. |
| 安全保管 | Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Dry. Well closed. Ventilation along the floor. |
| 暴露管理・個人防護 | · Wear positive pressure self-contained breathing apparatus (SCBA).· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. |
| 消火手順 | WATER OR FOAM MAY CAUSE FROTHINGIf material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use dry chemical, dry sand, or carbon dioxide. Do not use water on material itself. If large quantities of combustibles are involved, use water in flooding quantities as spray and fog. Use water to knock-down vapors. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. |
| 保管条件 | Keep containers closed. Store in dry, cool, dark place.PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/ |
| 清掃方法 | PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/ |
| 非火災時の漏出対応 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor-suppressing foam may be used to reduce vapors. FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors. DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas.SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. (ERG, 2024) |
| 処分方法 | Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U023, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.Incineration with flammable solvent added in incinerator with afterburner and alkaline scrubber.A potential candidate for liquid injection incineration at a temperature range of 650 to 1,600 °C and a residence time of 0.1 to 2 seconds. A potential candidate for rotary kiln incineration at a temperature range of 820 to 1,600 °C and residence times of seconds for liquids and gases, and hours for solids.PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/For more Disposal Methods (Complete) data for BENZOTRICHLORIDE (8 total), please visit the HSDB record page. |
| 漏出処分 | Personal protection: complete protective clothing including self-contained breathing apparatus. Ventilation. Collect leaking liquid in sealable containers. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. |
| Cancer Sites | Respiratory |
| 生態毒性値 | LC50 Daphnia magna (cladoceran) > 100 mg/l /test media: chlorine free tap water, saturated with oxygen, pH 7.6-7.7, temp 20-22 °C, hardness 16 deg (German)/LC50 Leuciscus idus melanotus (golden orfe) 4,140 mg/l/48 hr /Static bioassay/LC100 Lueciscus idus melanotus (golden orfe) 8,280 mg/l/48 hr /Static bioassay/Toxic threshold concn Pseudomonas purida (bacterium) > 100 mg/l/16 hr /25 °C in bi-distilled wateradditional conditions of bioassay not specified/For more Ecotoxicity Values (Complete) data for BENZOTRICHLORIDE (7 total), please visit the HSDB record page. |
| 環境中動態 | TERRESTRIAL FATE: The ultraviolet adsorption spectrum for benzotrichloride in methanol solution shows virtually no absorption above 290 nm(1), therefore direct photolysis on soil surfaces is not expected to occur(SRC). Benzotrichloride hydrolyzes quickly in the presence of moisture forming benzoic acid and hydrochloric acid(2). The hydrolysis rate constant at 25 °C and pH 7 is reported to be 0.063 1/sec(3), which corresponds to a half-life of 11 sec(SRC). The hydrolysis rate constant at 5.10 °C was found to be 0.00387 per sec(4), which corresponds to a half-life of 3.0 minutes(SRC). Therefore, leaching, volatilization from moist soil, and biodegradation are not expected to be important fate processes(SRC).AQUATIC FATE: Benzotrichloride hydrolyzes quickly in the presence of water forming benzoic acid and hydrochloric acid(1). The hydrolysis rate constant at 25 °C and pH 7 is reported to be 0.063 1/sec(2), which corresponds to a half-life of 11 sec(SRC). The hydrolysis rate constant at 5.10 °C was found to be 0.00387 per sec(3), which corresponds to a half-life of 3.0 minutes(SRC). Therefore, volatilization, bioconcentration, adsorption to sediment, and photolysis are not expected to be important fate processes(SRC). Limited biodegradation data are available to determine the rate or importance of biodegradation of benzotrichloride in water(SRC)however, using a modified OECD-Screening-Test, DOC removal with benzotrichloride was 95-97% after 3 days(4). However, because of the rapid hydrolysis rate, this biodegradation study is probably for benzoic acid, the hydrolysis product of benzotrichloride(SRC).ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 0.4137 mm Hg at 25 °C(2) indicates that benzotrichloride will exist in the vapor phase in the ambient atmosphere. Vapor-phase benzotrichloride is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be about 45 days(3,SRC). Direct photolysis is not expected to occur in the troposphere due to lack of UV absorption above 290nm(7). Due to the rapid hydrolysis of benzotrichloride in water(4-6), it may hydrolyze in the atmosphere when contacted with moisture(SRC). |
| 有害作用 | Neurotoxin - Other CNS neurotoxinOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.IARC Carcinogen - Class 2: International Agency for Research on Cancer classifies chemicals as probable (2a), or possible (2b) human carcinogens.NTP Carcinogen - Reasonably anticipated to be a human carcinogen.ACGIH Carcinogen - Suspected Human. |
| 暴露経路 | The substance can be absorbed into the body by inhalation, through the skin and by ingestion. |
| Signs and Symptoms | Cough. Sore throat. Shortness of breath.Redness. Pain.Redness. Pain. Burns.Cough. Sore throat. |
| EPA IRIS Information | BenzotrichlorideRespiratory |
| Medical Surveillance | PRECAUTIONS FOR "CARCINOGENS": Whenever medical surveillance is indicated, in particular when exposure to a carcinogen has occurred, ad hoc decisions should be taken concerning ... /cytogenetic and/or other/ tests that might become useful or mandatory. /Chemical Carcinogens/ |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indexes(1), the Koc of benzotrichloride is estimated as approximately 1200(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that benzotrichloride has slight mobility in soil(SRC). Due to the rapid hydrolysis of benzotrichloride in water(3-5), leaching in moist soils should not be significant due to its degradation to benzoic and hydrochloric acid(SRC). |
| TSCA Test Submissions | The mutagenicity of benzotrichloride was evaluated in Salmonella tester strains TA1535, TA1537, TA1538, TA98, TA100 and Saccharomyces strain D4 with and without metabolic activation by Aroclor-induced rat liver S9 fraction. The test article was not mutagenic at concentrations ranging from 0.005 to 10 ul/plate in the presence or absence of metabolic activation, while cytotoxicity at concentrations of 5 and 10 ul/plate was reported in all test strains.The absorption and excretion of 14C-benzotrichloride (BTC) was studied in groups of male and female Sprague-Dawley rats (3/group) exposed by gavage to a single doses of BTC. Groups of females were exposed to average concentrations of 0, 42.5, 40.4, 45.0, 43.0 or 46.0 mg/kg and sacrificed 8, 24, 24, 48, or 72 hrs after dosing, respectively. Groups of males were exposed to average concentrations of 0 or 39.9 mg/kg and sacrificed 72 hrs after dosing. BTC was rapidly absorbed from the gastrointestinal tract and efficiently eliminated in the urine (90%) and feces (10%) in 48 hrs. Radioactivity (as BTC equivalents) in the blood peaked at 6.5 ppm by 4 hrs after dosing and then steadily decreased to 2.6 ppm by 24 hrs. The elimination half-life of 14C in the blood was 22 hr. Total radiocarbon residue in tissues was approximately 1.5% of the dose after 72 hrs with fat, liver, and kidneys containing the highest residue levels. The pharmacokinetics of BTC appeared to follow a one-compartment open model system. BTC was rapidly distributed in the body and then eliminated in the urine following apparent first order kinetics. BTC was rapidly metabolized, apparently being hydrolyzed to benzoic acid which was then conjugated with glycine to form hippuric acid (> 90% of radiocarbon in urine). Small amounts of benzoic acid (0.7%) and phenylacetic acid (0.8%), as well as 4 unidentified metabolites (5.5%) were also found in the urine. |
| Natural Pollution Sources | Benzotrichloride has not been reported to occur in nature(1). |
| Human Toxicity Excerpts | Corrosive to skin, mucous membranes.The effects of occupational exposure to a mixture of chlorinated toluenes on mortality were studied in 953 organic chemical factory workers. Mortality of 163 exposed employees was compared with that in 790 who were not exposed by first using the rates of mortality for England and Wales and then by using regression models in life tables. Cumulative exposure, age at start of employment in the factory, and age at death were considered. Compared with mortality rates in England and Wales, exposed workers had significantly elevated standard mortality ratios for all causes and all cancers, while the regression models indicated that an increased risk of cancer mortality was found for exposed workers who had first been employed before 1951. Cancers among the exposed employees concerned the mouth and throat, digestive system, respiratory system, genitourinary system, and lymphatic hemopoietic tissue. Although exposures were to several chlorinated toluenes, results from this study and previous studies indicates that benzotrichloride was the most likely carcinogen. /It was concluded/ that there is an increased risk of mortality from cancer among the workers, increased risk of mortality from cancer among the workers, especially those employed before 1951, who were exposed to chlorinated toluenes.Six cases of respiratory cancer have been reported among benzoyl chloride production workers in two small plants, who were also potentially exposed to benzotrichloride. The cases occurred in young workers, three of whom were nonsmokers. |
| 大気基準 | This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Benzotrichloride is produced, as an intermediate or final product, by process units covered under this subpart.Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Benzotrichloride is included on this list. |
| CERCLA 報告数量 | Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 10 lb or 4.54 kg. The toll free number of the NRC is (800) 424-8802In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Benzotrichloride is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 100 lbs. |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | XT9275000 |
| 輸送番号（UN） | UN 2226 |
| 毒性 | LD50 orally in rats: 6.0 g/kg (Smyth) |
| PRTR法 | 特定第一種指定化学物質 |
| 税関コード | 29039990 |
| 危険文句（R） | 45-22-23-37/38-41 |
| 化審法 | (3)-87 |
| 安衛法 | 特化則 特定化学物質(第1類 製造許可物質) |
| 消防法 | 危-4-3-III |
| 危険表示 | T |
| 安全措置（S） | 53-45 |
| 危険等級 | 8Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 1BEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 包装等級 | II |
| 毒劇物取締法 | 毒物 |
| 自然発火温度 | 411 °F |
| 環境リスク評価 | ベンジリジン＝トリクロリド(98-07-7) |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 有害物質データ | 98-07-7(Hazardous Substances Data) |
用途
解説
ベンゾトリクロリド，無色の液体．融点－5.0 ℃，沸点220.8 ℃，89 ℃(1.33 kPa)．d2041.3766．n20D1.5579．有機溶媒に可溶，水に不溶．水と150 ℃ に加熱すると安息香酸を生じる．染料そのほかの合成中間体である．蒸気は皮膚，粘膜を強く刺激する．森北出版「化学辞典（第2版）
用途
医薬品、紫外線吸収剤、農薬、染料
説明
Exhaustive chlorination of the side-chain of toluene leads to benzotrichloride (trichloromethyl benzene, a,a,a-trichlorotoluene, phenyl chloroform) [98-07-7]. The compound was first synthesized in 1858 by L. SCHISCHKOFF and A. ROSING, using the reaction of PCl5 with benzoyl chloride. Benzotrichloride is now produced on a large scale, since it serves as an important intermediate in the preparation of acid chlorides (benzoyl chloride), dyes, herbicides, pesticides, and other products.
使用
Benzotrichloride is used mainly to produce benzoyl chloride, for which purpose it is either partially hydrolyzed with water or else reacted with benzoic acid. It is also of some significance in the production of pesticides (through transformation into benzotrifluoride), ultraviolet stabilizers, and dyes.
使用
α,α,α-Trichlorotoluene was used in determination of chlorinated toluenes in effluents of wastewater treatment plants and textile industries by closed loop stripping analysis.
一般的な説明
Benzotrichloride appears as a clear colorless to yellowish colored liquid with a penetrating odor. Denser than water and vapors are heavier than air. May be toxic by inhalation or ingestion. Burns skin, eyes, and mucous membranes. Insoluble in water. Used to make dyes and other chemicals.