化工社化工社 化学情報印刷レポート · 研究参考用
りん酸トリス(2,3-ジブロモプロピル)
ホスコンUF-S · ブロムカールP-67-6HP · ホスコンPE-60 · フィロールHB-32 · フラメックスLV-T-23P · ファイヤマスターLV-T-23P · トリス【防炎剤】 · ゼトフェックスZN
識別子と物理属性
| CAS No. | 126-72-7 |
|---|---|
| 分子式 | C9H15Br6O4P |
| 平均分子量 | 697.6 g/mol |
| 単同位体質量 | 691.58082 g/mol |
| SMILES | O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr |
| InChIKey | PQYJRMFWJJONBO-UHFFFAOYSA-N |
| PubChem CID | 31356 |
| ChEMBL | CHEMBL1904600 |
| ChEBI | CHEBI:82282 |
| EC No. | 204-799-9 |
| DTXSID | DTXSID5021413 |
| 現地名 | りん酸トリス(2,3-ジブロモプロピル) |
化学・物理的性質
| XLogP | 4.3 |
|---|---|
| 極性表面積 | 44.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 12 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 255 |
| 物質分類 | Other Classes -> Organophosphates, OtherCarcinogens |
| pH | High-purity & low-purity grades: acid number (mg KOH/g)= 0.05 maximum |
| LogP（分配係数） | log Kow = 4.293.71 |
| 密度 | 2.27 at 77 °F (NTP, 1992) - Denser than waterwill sink2.27 at 25 °CBulk density: 18.5 lb/galRelative density (water = 1): 2.272.27 g/cm3(Temp: 25 °C) |
| Flame Retardants | Flame Retardants -> Organophosphorus flame retardant (OP) |
| Viscosity | High purity grade: 3900-4200 centistokes at 25 °Clow purity grade: 1400-1700 centistokes at 25 °C |
| Color/Form | Viscous, pale yellow liquidDense, nearly colorless liquidCrystals |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)In water, 8 mg/L at 24 °CMiscible with carbon tetrachloride, chloroform, and methylene chlorideSoluble in chloroformSolubility in water, g/100ml at 20 °C: 0.063Chloroform, Methanol (Slightly)8mg/L(24℃) |
| 引火点 | greater than 234 °F (NTP, 1992)>112 °C>110 °C |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Decomposition | When heated to decomposition it emits very toxic fumes of /bromides/ and /phosphorus oxides/.200 °C. This produces toxic and corrosive fumes including hydrogen bromide and phosphorus oxides. Reacts with acids and bases. |
| 融点 | FP: 5.5 °C5.5°C |
| 沸点 | 544.2±50.0 °C(Predicted) |
| 貯蔵条件 | room temp |
| Merck | 13,9821 |
| ヘンリー定数 | 3.8×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | Moisture Sensitive |
| CAS データベース | 126-72-7(CAS DataBase Reference) |
| EPAの化学物質情報 | Tris(2,3-dibromopropyl) phosphate (126-72-7) |
化学的特性
TDBP is a thick, clear to yellowish liquid. Odorless.
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 1-Propanol, 2,3-dibromo-, phosphate (3:1)Hazard Traits - CarcinogenicityRegulation (EC) No 178/2002 (amended)S - indicates a substance that is identified in a final Significant New Use Rule.Restricted substance: Tris (2,3 dibromopropyl) phosphateThe 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.) |
| その他の安全情報 | PEC / SN / Other assessments - Polybrominated flame retardants (PBFRs): Health and Environment |
| 輸送ラベル（DOT） | Class 9 |
| 火災危険 | This chemical is combustible. (NTP, 1992)Combustible under specific conditions. |
| 火災の可能性 | CombustibleMay be flammable when exposed to heat or flame. |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include gastrointestinal irritation, nausea, vomiting, headache, dizziness, central nervous system depression testicular atrophy, chronic lung disease, kidney damage and liver damage. It can cause eye irritation and severe skin irritation. It can also cause skin sensitization. |
| 有害性の概要 | Probably carcinogenic to humans[ICSC] Causes eye and severe skin irritationOral LD50 (rat) = 1010 mg/kgPercutaneous LD50 (rabbit) >8000 mg/kg[HSDB] An eye and strong skin irritantMay cause skin sensitizationMay cause liver and kidney injuryCan be absorbed through skin[CAMEO] Effects in acute, high-dose animal studies include kidney and liver damageHas a low skin sensitization potential[Reference #1] A skin irritant[MSDSonline] |
| 反応性グループ | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Special Reports | Bioassay of Tris(2,3-dibromopropyl)phosphate for Possible Carcinogenicity (1978) Technical Rpt Series No. 76 DHEW Pub No. (NIH) 78-1326, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014U.S. Department of Health & Human Services/National Toxicology ProgramTwelfth Report on Carcinogens (2011). 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. Tris(2,3-dibromo-1-propyl) phosphate (126-72-7) is listed as reasonably anticipated to be a human carcinogen and was first listed in the Second Annual Report on Carcinogens (1981).[Available from, as of November 11, 2013: http://ntp.niehs.nih.gov/] |
| RCRA 要件 | U235As stipulated in 40 CFR 261.33, when 1-propanol, 2,3-dibromo-, phosphate, 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 | TRIS(2,3-DIBROMOPROPYL) PHOSPHATE is stable at temperatures up to 392-482 °F. Major decomposition begins at 586 °F. Is hydrolyzed by acids and bases (NTP, 1992). |
| Chemical Dangers | Decomposes at 200 °C. This produces toxic and corrosive fumes including hydrogen bromide and phosphorus oxides. Reacts with acids and bases. |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)Use water in large amounts, foam, alcohol-resistant foam, carbon dioxide. |
| 応急処置措置 | Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Refer for medical attention . |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 安全保管 | Separated from food and feedstuffs. |
| 保管条件 | PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practicable 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, 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 bags, 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 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| 処分方法 | Generators of waste (equal to or greater than 100 kg/month) containing this contaminant, EPA hazardous waste number U235, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.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/PRECAUTIONS FOR "CARCINOGENS": ... Incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": HEPA (high-efficiency particulate arrestor) filters ... can be disposed of by incineration. For spent charcoal filters, the adsorbed material can be stripped off at high temp & carcinogenic wastes generated by this treatment conducted to & burned in an incinerator. ... LIQUID WASTE: ... Disposal should be carried out by incineration at temp that ... ensure complete combustion. SOLID WASTE: Carcasses of lab animals, cage litter, & misc solid wastes ... should be disposed of by incineration at temp high enough to ensure destruction of chem carcinogens or their metabolites. /Chemical Carcinogens/For more Disposal Methods (Complete) data for TRIS(2,3-DIBROMO-1-PROPYL) PHOSPHATE (7 total), please visit the HSDB record page. |
| 漏出処分 | Personal protection: chemical protection suit and filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Preventive Measures | SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.PRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering, & overshoes. ... Clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": ... Operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/For more Preventive Measures (Complete) data for TRIS(2,3-DIBROMO-1-PROPYL) PHOSPHATE (12 total), please visit the HSDB record page. |
| Isolation and Evacuation | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Eye Prevention | Wear face shield or eye protection in combination with breathing protection. |
| 生態毒性値 | EC50Species: Scenedesmus abundans (Green Algae) 10+4 cells/mLConditions: freshwater, static, 22 °CConcentration: 3100 ug/L for 96 hrEffect: growth, general /97% purity/Species: Lepomis macrochirus (Bluegill) fingerlingConditions: freshwater, static, 22 °C, pH 7.0-7.2, hardness 40-48 mg/L CaCO3, alkalinity 32-38 mg/L CaCO3Concentration: 2076 ug/L for 24 hr (95% confidence interval: 1653-2496 ug/L)Effect: behavior, decreased equilibrium /formulated product/Concentration: 1323 ug/L for 96 hr (95% confidence interval: 1214-1499 ug/L)LC50Concentration: 2530 ug/L for 24 hr (95% confidence interval: 2110-3040 ug/L) /formulated product/For more Ecotoxicity Values (Complete) data for TRIS(2,3-DIBROMO-1-PROPYL) PHOSPHATE (12 total), please visit the HSDB record page. |
| 環境中動態 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 9700(SRC), determined from a structure estimation method(2), indicates that tris(2,3-dibromo-1-propyl) phosphate is expected to be immobile in soil(SRC). Volatilization of tris(2,3-dibromo-1-propyl) phosphate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.6X10-5 atm-cu m/mole(SRC), based upon its vapor pressure, 2.25X10-4 mm Hg(3), and water solubility, 8 mg/L(4). Tris(2,3-dibromo-1-propyl) phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). However, adsorption to soil is expected to attenuate volatilization from moist soil(SRC). A 2% of theoretical BOD using activated sludge in the Japanese MITI test(5) suggests that biodegradation is not an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 9700(SRC), determined from a structure estimation method(2), indicates that tris(2,3-dibromo-1-propyl) phosphate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.6X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 2.25X10-4 mm Hg(4), and water solubility, 8 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4 and 38 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 49 months if adsorption is considered(6). According to a classification scheme(7), a reported BCF of 2.75 in fathead minnow(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Although hydrolysis of tris(2,3-dibromo-1-propyl) phosphate is not expected to be an important fate process, hydrolysis involving the bromides on the propyl groups may occur, especially under basic conditions(9). A 2% of theoretical BOD using activated sludge in the Japanese MITI test(10) suggests that biodegradation is not an important environmental fate process in water(SRC).[ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tris(2,3-dibromo-1-propyl) phosphate, which has a vapor pressure of 2.25X10-4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase tris(2,3-dibromo-1-propyl) phosphate 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 13 hours(SRC), calculated from its rate constant of 2.8X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Tris(2,3-dibromo-1-propyl) phosphate does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 有害作用 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 暴露経路 | The substance can be absorbed into the body by inhalation, through the skin and by ingestion. |
| Signs and Symptoms | See Effects of long-term or repeated exposure. |
| Ongoing Test Status | The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from, as of November 11, 2013: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=126-72-7] |
| Effluent Concentrations | Studies conducted on polyester and cellulose acetate fabrics treated with tris(2,3-dibromo-1-propyl) phosphate have shown that it can leach into wash and rinse water during laundering. When sheets treated with tris(2,3-dibromo-1-propyl) phosphate were washed, up to 6 mg/L were found in the combined wash and rinse water(1). |
| ICSC Environmental Data | The substance is toxic to aquatic organisms. |
| 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 indices(1), the Koc of tris(2,3-dibromo-1-propyl) phosphate can be estimated to be 9700(SRC). According to a classification scheme(2), this estimated Koc value suggests that tris(2,3-dibromo-1-propyl) phosphate is expected to be immobile in soil. |
| Atmospheric Concentrations | URBAN/SUBURBAN: Tris(2,3-dibromo-1-propyl) phosphate was identified, not quantified, in Arkansas air particulate(1).SOURCE DOMINATED: Tris(2,3-dibromo-1-propyl) phosphate was detected in 5 of 10 air samples collected on plant property of two industrial organo-bromine synthesis facilities in Dec 1976 and Sept 1977 at concentrations ranging from 44 to 85 ng/cu m(1). |
| Human Toxicity Excerpts | /HUMAN EXPOSURE STUDIES/ In ... study with undiluted tris(2,3-dibromopropyl)phosphate, /skin/ sensitization reactions occurred in 8/24 subjectswith a concn of 20% in petroleum jelly, 2/25 subjects were sensitized./GENOTOXICITY/ Exposure to concn of 2 uL tris(2,3-dibromopropyl) phosphate per mL growth medium for 4.5 hr induced repairable lesions (single strand breaks) in DNA of human cells (KB) in culture, as evidenced by a lowering of the sedimentation rate in alkaline sucrose gradients ... ./GENOTOXICITY/ The cmpd is suspected to cause heritable mutations in humans ... . The eventual incidence of tris(2,3-dibromo-1-propyl) phosphate (Tris) related cancer has been variously estimated as 25 to 17,000 cases of cancer per million male children exposed to Tris treated clothing for 1 year./OTHER TOXICITY INFORMATION/ The routes of potential human exposure to tris(2,3-dibromopropyl) phosphate are inhalation, dermal contact, and ingestion. Because tris(2,3-dibromopropyl) phosphate is no longer reported to be produced in the United States, the potential for exposure should be small. The chemical was widely used in children's sleepwear and mattresses in the past. |
| 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) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b). |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UB0350000 |
| 輸送番号（UN） | UN 3082 9/PG 3 |
| 毒性 | LD50 orally in rats: >5.0 g/kg (Daniher) |
| 税関コード | 29191000 |
| 危険文句（R） | 45-22-38-51/53 |
| 消防法 | 危-4-4-III |
| 危険表示 | T,N |
| 安全措置（S） | 53-26-37-61 |
| 環境リスク評価 | リン酸トリス(2,3-ジブロモプロピル)(126-72-7) |
| 有害物質データ | 126-72-7(Hazardous Substances Data) |
用途
使用
Tris(2,3-dibromopropyl) Phosphate is a flame retardant that has previously shown to be a mutagen and carcinogen in experimental animals. Tris(2,3-dibromopropyl) Phosphate is widely used in pastics an d textiles.
一般的な説明
Clear colorless to pale yellow viscous liquid.