English Safety Data Sheet Database 中文版 MSDS

3-Bromotoluene

CAS No. 591-17-3 | PubChem CID 11560
Section 1. Identification
Chemical Name3-Bromotoluene CAS No.591-17-3
Synonyms3-bromotoluene; m-bromomethyl benzene Chinese Name3-溴甲苯
Molecular FormulaC7H7Br Molecular Weight171.034
UN No.1993 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word WARNING
Pictograms GHS02 · Flammable GHS07 · Irritant
Hazard Statements H226H302H315H319H335
Precautionary Statements P210P233P240P241P242P243P261P264P264+P265P270P271P280P301+P317P302+P352P303+P361+P353P304+P340P305+P351+P338P319P321P330P332+P317P337+P317P362+P364P370+P378P403+P233P403+P235P405P501

Section 2. Hazards Identification

H226 (84%): Flammable liquid and vapor [Warning Flammable liquids]

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Section 4. First-Aid Measures

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.

SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.

INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.

INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Section 5. Fire-Fighting Measures

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Section 6. Accidental Release Measures

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.

SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

SRP: 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.

Section 7. Handling and Storage

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.

STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Section 8. Exposure Controls / Personal Protection

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Section 9. Physical and Chemical Properties

M-bromotoluene is a clear colorless liquid. (NTP, 1992)

Colorless liquid; [CAMEO]

362.7 °F at 760 mmHg (NTP, 1992)

183.7 °C at 760 mm Hg

-40 °F (NTP, 1992)

-39.8 °C

140 °F (NTP, 1992)

less than 1 mg/mL at 68 °F (NTP, 1992)

Sol in chloroform

Soluble in ethanol and acetone, miscible in ether

Water solubility = 51.3 mg/l

1.41 at 68 °F (NTP, 1992) - Denser than water; will sink

1.4099 at 20 °C/4 °C

1 mmHg at 58.6 °F (NTP, 1992)

1.53 [mmHg]

Vapor pressure = 0.145 kPa (1.09 mm Hg) at 25 °C

log Kow = 3.41

10,537.1 gcal/gmole

Index of refraction: 1.5510 at 20 °C/D

Dielectric constant 5.36

13C nuclear magnetic resonance spectrum

Angular frequency

Boiling point

Chemical shift

Diamagnetic susceptibility

Dielectric constant

Excess enthalpy

External quantum efficiency

Heat of sublimation

Luminescence

Luminescence emission linewidth

Magnetic susceptibility

Optical coefficient

Polarization degree

Refractive index

Spin-spin coupling constant

Thermal expansion coefficient

Vapor pressure

Viscosity

Solvents -> Brominated Solvents

Section 10. Stability and Reactivity

Highly flammable. Insoluble in water.

Aryl Halides

Highly Flammable

M-BROMOTOLUENE is incompatible with strong oxidizing agents. (NTP, 1992)

Section 11. Toxicological Information

Neurotoxin - Acute solvent syndrome

LC50 (rat) = 6800 mg/m3

RESPIRATORY IRRITATION &, IN HIGH CONCN ... /CNS DEPRESSION/ IN EXPTL ANIMALS.

m-Bromotoluene tested negative for mutagenicity in Salmonella assays.

3-Bromotoluene may be released to the environment through evaporation from solvent uses or in waste streams generated at sites of production and use. If released to the atmosphere, 3-bromotoluene is expected to degrade by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction is estimated to be 4.8 days. If released to water, 3-bromotoluene may be removed from the water column by volatilization and adsorption. Using an estimated Henry's Law constant of 6.7X10-3 atm-cu m/mol, volatilization half-lives of 4.1 hr and 5.2 days are estimated for a model river and model lake, respectively. The effect of adsorption to sediment is considered in the estimated volatilization half-life of 14.9 days from an environmental pond, but not from the model river or model lake. An estimated Koc value of 430 suggests that if 3-bromotoluene is released to soil, moderate leaching may occur. Based on its estimated Henry's Law constant and measured vapor pressure (1.53 mm Hg at 25 °C), evaporation from dry and moist soil surfaces may also occur. Data are not available with which to assess the importance of biodegradation in the environment. Ot's estimated BCF of 230 suggests that there is a moderately high potential for bioconcentration in aquatic organisms. Occupational exposure may occur through inhalation or dermal contact at sites where 3-bromotoluene is manufactured, used as a solvent or used as a chemical intermediate. (SRC)

3-Bromotoluene's production and use as a solvent(1) and chemical intermediate(2) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 434(SRC), derived from a molecular structure estimation method(2), suggests that 3-bromotoluene will have moderate mobility in soil(SRC). Its high Henry's Law constant, 6.71X10-3 atm-cu m/mole(SRC), estimated from its water solubility(3), high vapor pressure, 1.53 mm Hg at 25 °C(5), and moderate adsorptivity to soil suggests that volatilization may be an important fate process from both moist and dry soil surfaces(4,SRC). Experimental data suggests that 3-bromotoluene may be subject to direct photolysis on the soil surface(6). 3-Bromotoluene's potential for biodegradation in soil is unknown(SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 430(SRC) determined from molecular structure(2), indicates that 3-bromotoluene may adsorb to sediment and particulate matter in the water column(SRC). It is expected to readily volatilize from water based on its Henry's Law constant of 6.7X10-3 atm-cu m/mole(SRC), estimated from its water solubility(3) and vapor pressure(7). Estimated half-lives for a model river and model lake are 4.0 hours and 5.2 days, respectively(4,SRC). Using a model which takes adsorption into account(7), the volatilization half-life of 3-bromotoluene in an environmental pond is estimated to be 14.9 days. According to a recommended classification scheme(6), an estimated BCF value of 230(4,SRC), based on its log Kow(5,SRC), suggests that bioconcentration in aquatic organisms will be moderately high(SRC).

ATMOSPHERIC FATE: According to a theory of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-bromotoluene, which has a vapor pressure of 1.53 mm Hg at 25 °C(2) will exist as a vapor in the ambient atmosphere(SRC). Vapor-phase 3-bromotoluene degrades in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction is estimated to be 4.8 days(3,SRC).

The rate constant for the vapor-phase reaction of 3-bromotoluene with photochemically-produced hydroxyl radicals is estimated to be 3.34X10-12 cu m/molecule-sec at 25 °C(1,SRC). Assuming an average atmospheric hydroxyl radical concn of 5X10+5 molecules/cu cm, the half-life for this reaction is estimated to be 4.8 days(1,SRC). 3-Bromotoluene does not contain any functional groups that are susceptible to hydrolysis(2); therefore, hydrolysis is not expected to be significant in natural waters(SRC). Irradiation of 3-bromotoluene (in hexane solution) with artificial UV light above 290 nm resulted in a dehalogenation of 0.36% over a two hour period(3).

A BCF of 230 was estimated for 3-bromotoluene(SRC), using its log Kow of 3.41(1,SRC), and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that 3-bromotoluene has a moderately high potential for bioconcentration in fish and aquatic organisms(SRC).

Using an estimation method based on molecular connectivity indices(1), the Koc for 3-bromotoluene is estimated to be 430(SRC). According to a suggested classification scheme(2), this Koc value suggests that 3-bromotoluene will have medium mobility in soil(SRC).

The Henry's Law constant of 3-bromotoluene calculated from its vapor pressure, 1.53 mm Hg at 25 °C(3), and water solubility, 513 mg/l(1), is 6.7X10-3 atm-cu m/mole(SRC), which indicates that volatilization from environmental waters is probably significant, and may be rapid(2). The volatilization half-life of 3-bromotoluene from a model river (1 meter deep flowing 1 m/sec with a wind speed of 3 m/sec) and model lake (1 meter deep flowing at 0.05 m/sec with a wind speed of 0.5 m/sec) is estimated to be 4.0 hr and 5.2 days, respectively(2,SRC); these estimates do not consider the effect of adsorption to sediment which may be important(SRC). The volatilization half-life of 3-bromotoluene in an environmental pond which considers adsorption is estimated to be 14.9 days(4,SRC).

Occupational exposure may occur through inhalation or dermal contact at sites where 3-bromotoluene is manufactured, used as a solvent, or used as chemical intermediate. (SRC)

Section 12. Ecological Information

3-Bromotoluene may be released to the environment through evaporation from solvent uses or in waste streams generated at sites of production and use. If released to the atmosphere, 3-bromotoluene is expected to degrade by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction is estimated to be 4.8 days. If released to water, 3-bromotoluene may be removed from the water column by volatilization and adsorption. Using an estimated Henry's Law constant of 6.7X10-3 atm-cu m/mol, volatilization half-lives of 4.1 hr and 5.2 days are estimated for a model river and model lake, respectively. The effect of adsorption to sediment is considered in the estimated volatilization half-life of 14.9 days from an environmental pond, but not from the model river or model lake. An estimated Koc value of 430 suggests that if 3-bromotoluene is released to soil, moderate leaching may occur. Based on its estimated Henry's Law constant and measured vapor pressure (1.53 mm Hg at 25 °C), evaporation from dry and moist soil surfaces may also occur. Data are not available with which to assess the importance of biodegradation in the environment. Ot's estimated BCF of 230 suggests that there is a moderately high potential for bioconcentration in aquatic organisms. Occupational exposure may occur through inhalation or dermal contact at sites where 3-bromotoluene is manufactured, used as a solvent or used as a chemical intermediate. (SRC)

3-Bromotoluene's production and use as a solvent(1) and chemical intermediate(2) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 434(SRC), derived from a molecular structure estimation method(2), suggests that 3-bromotoluene will have moderate mobility in soil(SRC). Its high Henry's Law constant, 6.71X10-3 atm-cu m/mole(SRC), estimated from its water solubility(3), high vapor pressure, 1.53 mm Hg at 25 °C(5), and moderate adsorptivity to soil suggests that volatilization may be an important fate process from both moist and dry soil surfaces(4,SRC). Experimental data suggests that 3-bromotoluene may be subject to direct photolysis on the soil surface(6). 3-Bromotoluene's potential for biodegradation in soil is unknown(SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 430(SRC) determined from molecular structure(2), indicates that 3-bromotoluene may adsorb to sediment and particulate matter in the water column(SRC). It is expected to readily volatilize from water based on its Henry's Law constant of 6.7X10-3 atm-cu m/mole(SRC), estimated from its water solubility(3) and vapor pressure(7). Estimated half-lives for a model river and model lake are 4.0 hours and 5.2 days, respectively(4,SRC). Using a model which takes adsorption into account(7), the volatilization half-life of 3-bromotoluene in an environmental pond is estimated to be 14.9 days. According to a recommended classification scheme(6), an estimated BCF value of 230(4,SRC), based on its log Kow(5,SRC), suggests that bioconcentration in aquatic organisms will be moderately high(SRC).

ATMOSPHERIC FATE: According to a theory of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-bromotoluene, which has a vapor pressure of 1.53 mm Hg at 25 °C(2) will exist as a vapor in the ambient atmosphere(SRC). Vapor-phase 3-bromotoluene degrades in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction is estimated to be 4.8 days(3,SRC).

The rate constant for the vapor-phase reaction of 3-bromotoluene with photochemically-produced hydroxyl radicals is estimated to be 3.34X10-12 cu m/molecule-sec at 25 °C(1,SRC). Assuming an average atmospheric hydroxyl radical concn of 5X10+5 molecules/cu cm, the half-life for this reaction is estimated to be 4.8 days(1,SRC). 3-Bromotoluene does not contain any functional groups that are susceptible to hydrolysis(2); therefore, hydrolysis is not expected to be significant in natural waters(SRC). Irradiation of 3-bromotoluene (in hexane solution) with artificial UV light above 290 nm resulted in a dehalogenation of 0.36% over a two hour period(3).

A BCF of 230 was estimated for 3-bromotoluene(SRC), using its log Kow of 3.41(1,SRC), and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that 3-bromotoluene has a moderately high potential for bioconcentration in fish and aquatic organisms(SRC).

Using an estimation method based on molecular connectivity indices(1), the Koc for 3-bromotoluene is estimated to be 430(SRC). According to a suggested classification scheme(2), this Koc value suggests that 3-bromotoluene will have medium mobility in soil(SRC).

The Henry's Law constant of 3-bromotoluene calculated from its vapor pressure, 1.53 mm Hg at 25 °C(3), and water solubility, 513 mg/l(1), is 6.7X10-3 atm-cu m/mole(SRC), which indicates that volatilization from environmental waters is probably significant, and may be rapid(2). The volatilization half-life of 3-bromotoluene from a model river (1 meter deep flowing 1 m/sec with a wind speed of 3 m/sec) and model lake (1 meter deep flowing at 0.05 m/sec with a wind speed of 0.5 m/sec) is estimated to be 4.0 hr and 5.2 days, respectively(2,SRC); these estimates do not consider the effect of adsorption to sediment which may be important(SRC). The volatilization half-life of 3-bromotoluene in an environmental pond which considers adsorption is estimated to be 14.9 days(4,SRC).

Occupational exposure may occur through inhalation or dermal contact at sites where 3-bromotoluene is manufactured, used as a solvent, or used as chemical intermediate. (SRC)

Section 13. Disposal Considerations

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Section 14. Transport Information

Flammable Liquid Poison

Source: PubChem CID 11560 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 10:01:56.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.