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HCID 7422作成日：2026年10月27日

3-Nitrotoluene

https://huagongshe.com/ja/chemical/7422

3-Nitrotoluene の分子構造式

識別子と物理属性

CAS No.99-08-1
分子式C7H7NO2
平均分子量137.14 g/mol
単同位体質量137.04767846 g/mol
SMILESCc1cccc([N+](=O)[O-])c1
InChIKeyQZYHIOPPLUPUJF-UHFFFAOYSA-N
PubChem CID7422
ChEMBLCHEMBL114059
ChEBICHEBI:39931
EC No.202-728-6
DTXSIDDTXSID5021831

化学・物理的性質

XLogP2.4
極性表面積45.8
水素結合供与体数0
水素結合受容体数2
回転可能結合数0
重原子数10
形式電荷0
複雑度130
物質分類Nitrogen Compounds -> Nitros, AromaticReactive agents - 1st degreeSemi-Volatile Organic Compound (SVOC)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP（分配係数）log Kow = 2.45
臭いWeak, aromatic odor
密度1.1571 at 68 °F (USCG, 1999) - Denser than waterwill sink1.1630 at 20 °C/4 °C1.16 g/cm³1.1630 @ 15°C
Viscosity2.33 cP at 20 °C
Color/FormYellow liquid [Note: A solid below 59 degrees F]
溶解度less than 1 mg/mL at 70 °F (NTP, 1992)In water, 500 mg/L at 30 °C450 mg/L at 20 °CMiscible with alcohol and ethersol in benzene.Soluble in most organic solvents such as ethanol, benzene, and diethyl etherSolubility in water, g/100ml at 20 °C: 0.050.05%
引火点223 °F (NTP, 1992)106 °C223 °F (Closed cup)106 °C c.c.233°F (CC)
沸点450.7 °F at 760 mmHg (NTP, 1992)232 °C at 760 mm Hg231.9 °C231.9 °C @760 [mm Hg]450 °F231.9°C
DecompositionThe substance decomposes on burning producing toxic gases, including carbon monoxide and nitrogen oxides.
融点59.9 °F (NTP, 1992)15.5 °C16.1 °C16 °C59 °F
蒸気密度4.72
色結晶または液体

安全性と法規制

GHS 分類DangerH301+H311+H331 (65.8%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 158 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not ClassifiedH401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
規制情報Chemical: Benzene, 1-methyl-3-nitro-Status: Active Update: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/110073-Nitrotoluene: 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）Poison
火災危険Special Hazards of Combustion Products: Emits toxic fumes of oxides of nitrogen.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion on contact with strong oxidizing agents or sulfuric acid.
火災の可能性Combustible when exposed to heat, flame or oxidizers.... Contact with strong oxidizers or sulfuric acid may cause fires. /Nitrotoluene/
健康有害性INHALATION, INGESTION OR SKIN ABSORPTION: Headache, flushing of face, dizziness, difficult breathing, cyanosis, nausea, vomiting, muscular weakness, increased pulse and respiratory rate, irritability and convulsions. EYES: Slight irrita- tion. SKIN: Slight irritation. (USCG, 1999)
有害性の概要Nitrotoluenes (all isomers) have the potential to induce methemoglobinemia in the same manner as aniline and nitrobenzene. [ACGIH] Can induce methemoglobinemiaA mild skin and eye irritant[ICSC]The major hazards encountered in the use and handling of 3-nitrotoluene stem from its toxicologic properties and explosivity. Toxic by all routes (ie, inhalation, ingestion, and dermal absorption), exposure to this yellow liquid may occur from its use as a chemical intermediate in the production of dyes, explosives, pesticides, toluidines, and nitrobenzoic acids. Effects from exposure may include contact burns to the skin and eyes, headache, weakness, dizziness, nausea, increased pulse and respiratory rate, and methemoglobinemia. The onset of symptoms may be delayed up to 4 hours. OSHA has set a time-weighted average (TWA) limit of 2 ppm as a final rule to become effective December 31, 1992. Local exhaust ventilation should be applied to control airborn e 3-nitrotoluene to permissible limits. In activities and situations where over-exposure may occur, wear a positive pressure self-contained breathing apparatus and chemical protective clothing which is specifically recommended by the shipper or manufacturer. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash expose d skin thoroughly with soap and water. Contaminated clothing and shoes should be removed and left at the site for cleaning. While 3-nitrotoluene does not ignite easily, it may burn with the production of irritating or poisonous gases. Also, containers of this substance may explode violently in the heat of a fire. For fires involving 3-nitrotoluene, extinguish with dry chemical, CO2, water spray, fog, or standard foam. Fight fire from as far a distance as possible, and, if fire is advanced, evacuate the area. Dike fire control water. 3-Nitrotoluene should be stored in a cool, dry, well-ventilated area, away from sources of ignition, sources of physical damage, strong oxidizers, and sulfuric acid. Dike to prevent land spills of 3-nitrotoluene from entering water sources or sewers, and take up by absorbing the material in vermiculite, dry sand, or earth. For spills of 3-nitrotoluene in bodies of water, use sand bag barriers to trap material at the bottom, apply activated carbon, and use mechanical dredg es or lifts to remove immobilized masses.
輸送番号・ガイド（DOT）1664 152
反応性グループNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
UN 分類UN Hazard Class: 6.1UN Pack Group: II
Special ReportsDHHS/NTPNTP Technical Report on Toxicity Studies of o-, m-, and p-Nitrotoluenes Administered in Dosed Feed to F344/N Rats and B6C3F1 Mice Toxicity Rpt Series No. 23 NIH Publication No. 93-3346 (1992)
TSCA 要件Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 8-4-95Reporting date: 10-3-95.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. m-Nitrotoluene is included on this list. Effective date: 8-4-95Sunset date: 6-30-98.
OSHA StandardsPermissible Exposure Limit: Table Z-1 8-hr Time-Weighted Avg: 5 ppm (30 mg/cu m). Skin Designation.Vacated 1989 OSHA PEL TWA 2 ppm (11 mg/cu m), skin designation, is still enforced in some states. /Nitrotoluene (o-, m-, p- isomers)/
消火Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothing.Use water spray, powder, foam, carbon dioxide. Combat fire from a sheltered position.
応急処置措置Fresh air, rest. Refer for medical attention.Remove contaminated clothes. 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.(General first aid procedures)
安全保管Separated from strong oxidants, sulfuric acid and food and feedstuffs. Cool. Dry. Keep in a well-ventilated room.
暴露管理・個人防護Biological Exposure Indices (BEI) [ACGIH] - Methemoglobin in blood = 1.5% of hemoglobin during or at end of shift. [ACGIH]
消火手順To fight fire use water, carbon dioxide, dry chemical.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use foam, dry chemical, or carbon dioxide.Powder, water spray, foam, carbon dioxide. Combat fire from a sheltered position.Use dry chemical, carbon dioxide, or water spray. Water streams or foam may cause frothing. Use water spray to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products. Extinguish fire using agent suitable for surrounding fire.
保管条件Separated from strong oxidants, sulfuric acid, food and feedstuffs. Cool. Dry. Keep in a well-ventilated room.Store in a cool. dry, well-ventilated location. Separate from acids, alkalies, oxidizing materials, and reducing agents.
清掃方法Ventilate area of spill or leak. For small quantities of liquid nitrotoluene, absorb on paper towels. For small quantities of solid nitrotoluene, sweep onto paper or other suitable material. Remove to a safe place (such as a fume hood) and burn paper. Large quantities of liquid nitrotoluene can be collected and atomized in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. Large quantities of solid nitrotoluene can be reclaimedhowever, if this is not practical, dissolve in a flammable solvent (such as alcohol) and atomize in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. /nitrotoluene/Land Spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Cover solids with plastic sheet to prevent dissolving in rain or fire fighting water.Water Spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom, remove trapped material with suction hoses. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.For solids: Shovel into suitable dry container. For liquids: Stop or control the leak, if this can be done without undue risk. Cover in noncombustible material for proper disposal.
非火災時の漏出対応Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
処分方法SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations.SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.For liquid nitrotoluene, by absorbing it in vermiculite, dry sand, earth or a similar material and disposing in a secured sanitary landfill. By atomizing liquid nitrotoluene in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. By making packages of solid nitrotoluene in paper or other suitable material or by dissolving in a flammable solvent (such as alcohol) and burning in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. /nitrotoluene/The following wastewater treatment technologies have been investigated for 3-Nitrotoluene: Concentration process: Biological treatment.
漏出処分Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive MeasuresSRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit 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.SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. The completeness of the cleaning procedures should be considered before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at the end of shift, but should remain at employee's place of work for cleaning.Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain water flow as necessary. /Nitrotoluene/For more Preventive Measures (Complete) data for 3-NITROTOLUENE (9 total), please visit the HSDB record page.
標的器官Blood, central nervous system, cardiovascular system, skin, gastrointestinal tract
生態毒性値EC50SpeciesChlorella pyrenoidosa (Green micro-algae)Conditions: static, 25 °C, pH 6.6Concentration: 14 mg/L for 96 hrEffect: cell count inhibition />98% purity formulation/Species: Daphnia magna (Water Flea)Conditions: freshwater, staticConcentration: 7400 ug/L for 48 hrEffect: intoxicaiton, immobilization />99.5% purity formulation/LC50Species: Daphnia magna (Water Flea) age < or =24 hrConditions: freshwater, static, 20-22 °C, pH 7.6-7.7Concentration: 35000 ug/L for 24 hr /formulation/Concentration: 17600 ug/L for 48 hr />99.5% purity formulation/For more Ecotoxicity Values (Complete) data for 3-NITROTOLUENE (17 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 363(SRC), determined from a structure estimation method(2), indicates that 3-nitrotoluene is expected to have moderate mobility in soil(SRC). Field monitoring at a munition factory site in Melbourne Australia found that 3-nitrotoluene migrated large distances in the subsurface soil(3)3-nitrotoluene is reported to have low soil Kd sorption coefficients in a variety of soil types(3) indicating it will leach. Volatilization of 3-nitrotoluene from moist soil surfaces may occur(SRC) given a Henry's Law constant of 9.30X10-6 atm-cu m/mole(4). 3-Nitrotoluene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.107 mm Hg(5). Biodegradation screening tests have shown that 3-nitrotoluene can degrade very slowly in tests using unacclimated media such as the Japanese MITI test(6) or a 64-day silt loam soil inoculum test(7). However, biodegradation in acclimated media can be relatively fast with 98-100% degradation within a few days or two weeks(8-10). 3-Nitrotoluene is susceptible to direct photolysis(11,12)therefore, photodegradation may occur on surfaces exposed to sunlight(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 363(SRC), determined from a structure estimation method(2), indicates that 3-nitrotoluene is expected to adsorb moderately to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 9.30X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 days and 38 days, respectively(SRC). According to a classification scheme(5), BCF measured values of 0.47 to 16 in fish(6,7) suggests bioconcentration in aquatic organisms is low(SRC). Biodegradation screening tests have shown that 3-nitrotoluene can degrade very slowly in tests using unacclimated media such as the Japanese MITI test(7). However, biodegradation in acclimated media can be relatively fast with 98-100% degradation within a few days or two weeks(8-12). It was shown to be degraded in a river water in the Netherlands, with a half-life of 2.7 days(11). The photolysis rate constant for 3-nitrotoluene in near surface water at latitude 40 deg N has been experimentally determined to be 6.5 L/days(13). Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions(3).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-nitrotoluene, which has a vapor pressure of 0.107 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-nitrotoluene 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 17 days (SRC), calculated from its rate constant of 9.5X10-13 cu cm/molecule-sec at 25 °C(3). 3-Nitrotoluene is expected to undergo direct photolysis, with the primary photoproducts being 3-methyl-2-nitrophenol, 3-methyl-6-nitrophenol, and 3-methyl-4-nitrophenol(4).
有害作用Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as primary toxic effect.
暴露経路The substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact
Signs and SymptomsBlue lips, fingernails and skin. Confusion. Convulsions. Dizziness. Headache. Nausea. Unconsciousness.MAY BE ABSORBED! Redness. See Inhalation.Redness. Pain.Anoxia, cyanosisheadache, lassitude (weakness, exhaustion), dizzinessataxiadyspnea (breathing difficulty)tachycardianausea, vomiting
Ongoing Test StatusThe 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: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=99-08-1]
Effluent ConcentrationsNitrotoluenes have been detected in wastewater resulting from the production and purification of 2,4,6-trinitrotoluene. Wastewater concentrations of nitrotoluenes ranged from 0.01 to 0.17 mg/L. 3-Nitrotoluene was found in 43% of the samples(1).
ICSC Environmental DataThe substance is harmful to aquatic organisms. Environmental effects from the substance have not been investigated adequately.
Medical SurveillanceRoutine checking of lips, tongue, and nail beds of exposed personnel for signs of cyanosis. /Nitrotoluene/The following medical procedures should be made available to each employee who is exposed to nitrotoluene at potentially hazardous levels.Initial Medical Exam: A complete history & physical exam: ... Exam of blood, nervous system, GI system, & cardiovascular system should be stressed. Skin should be exam for evidence of chronic disorders. ... A complete blood count should be performed, including red cell count, a white cell count, a differential count of stained smear, as well as hemoglobin & hematocrit. Persons with blood disorders may be at increased risk from exposure.Periodic Medical Exam: The ... /initial med exam/ should be repeated on an annual basis. Methemoglobin determinations should be performed if overexposure is suspected or signs & symptoms of toxicity occur.
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of 3-nitrotoluene can be estimated to be 363(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-nitrotoluene is expected to have moderate mobility in soil. Field monitoring at a munition factory site in Melbourne Australia found that 3-nitrotoluene migrated large distances in the subsurface soils(3)3-nitrotoluene is reported to have low soil Kd sorption coefficients in a variety of soils types(3) indicating it will leach.
Atmospheric ConcentrationsURBAN/SUBURBAN: 3-Nitrotoluene concentrations of 0.488 to 1.723 ng/cu m were detected in ambient air monitoring at Upland, CA during 2006 and 2007(1).
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. Nitrotoluene is produced, as an intermediate or a final product, by process units covered under this subpart. /Nitrotoluene/
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 1000 lb or 454 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).
清浄水法要件m-Nitrotoluene is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.
輸送番号（UN）1664
毒性LD50 orl-rat: 1072 mg/kg NTIS** PB214-270orl-rbt LD50:2400 mg/kg CHABA8 73,91015e,70
危険等級6.1
包装等級II