Butyl bromide

137.01800

137.02

203-691-9

SAV6Y78U3D

1126

DTXSID6021903

Colorless to pale straw-colored liquid

2903399090

0

2.18140

Clear colorless to light yellow Liquid

1.2686 g/cm³ @ Temp: 25 °C

-112 °C

101.3 °C @ Press: 760 Torr

23ºC

1.4384-1.4404

H2O: 0.608 g/L (30 ºC)

Flammables area

150 mm Hg ( 50 °C)

4.7 (vs air)

LD50 orally in Rabbit: 2761 mg/kg

Lower (2.6%), Upper (6.6%)

2.50e-12 cm3/molecule*sec

Henry's Law constant = 8.71X10-3 atm-cu m/mol at 25 °C (est)

Liquid molar volume = 0.108 cu meter/kmol|IG heat of formation = -1.0732X10+8 J/kmol|Hydroxyl radical reaction rate constant = 2.50X10-12 cu cm/molec-sec at 25 °C

Highly flammable. Insoluble in water.

Halogenated Organic Compounds

Highly Flammable

1-BROMOBUTANE is incompatible with strong bases and oxidizers (USCG, 1999).

509 °F (USCG, 1999)|509 °F (265 °C)

Lower (2.6%), Upper (6.6%)

36.64 kJ/mol at 25 °C

II

3

UN 1126

2

R10; R36/37/38

S16-S26-S37/39

EJ6225000

Xi

Stable. Flammable - note low flash point. Incompatible with strong oxidizing agents, strong bases.

P210-P261-P273-P305 + P351 + P338

H225-H315-H319-H335-H411

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.

It can react with oxidizing materials.|Violent reaction with bromobenzene and sodium above 30 °C.|... Smooth interaction of 1-bromobutane and sodium in ether to give butylbenzene is critical. Below 15 °C reaction is delayed but later becomes vigorous, and above 30 °C the reaction becomes violent.

Special Hazards of Combustion Products: Toxic fumes of hydrogen bromide. Behavior in Fire: May form explosive mixtures with air in fire. (USCG, 1999)|Flammable - 3rd degree

|Danger|H225 (56.44%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 202 companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P281, P303+P361+P353, P304+P312, P304+P340, P308+P313, P312, P314, P370+P378, P403+P235, P405, and P501|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck 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, 2016)

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Approved respirator, chemical safety goggles, rubber gloves. (USCG, 1999)|Personnel Protection: ... Wear appropriate chemical protective gloves, boots and goggles.

Dangerous fire hazard when exposed to heat, flame or oxidizers.

Lower explosive limit: 2.6% at 212 °F; Upper explosive limit: 6.6% at 212 °F.|Mixtures of sodium with a range of halogenated alkane solvents are metastable and capable of initiation to explosion by shock or impact.|Generally the sensitivity of initiation and the force of the explosion increase with the degree of halogen substitution.

To fight fire use carbon dioxide, dry chemical, mist or spray.|If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use alcohol foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use alcohol foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.

/GUIDE 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for 1-BROMOBUTANE (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.| 0 - Materials that in themselves are normally stable, even under fire conditions.

1-Bromobutane may be formed by the chlorination of sewage effluents, but not during the biological phase of sewage treatment, biological degradation of solid wastes, or incineration of municipal refuse or industrial sludges and slurries(1).

LD50 Mouse ip 6.68 g/kg|LD50 Rat ip 4.45 g/kg|LC50 Mouse inhalation 237 g/cu m/30 min|LD50 Rat (Sprague Dawley, male) oral 2761 mg/kg|LD50 Rat (Sprague Dawley, female) oral 3161 mg/kg

1-Bromobutane's production and use as an alkylating agent and in synthesis(1,2) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a structure estimation method(2), indicates that 1-bromobutane is expected to have high mobility in soil(SRC). Volatilization of 1-bromobutane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 8.7X10-3 atm-cu m/mole(SRC), derived from its vapor pressure, 42.0 mm Hg(3), and water solubility, 8.69X10+2 mg/L(4). 1-Bromobutane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 42.0 mm Hg(3). Limited data on the biodegradation of 1-bromobutane showed bacterial degradation has been observed(5,6).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a structure estimation method(2), indicates that 1-bromobutane is not 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 8.7X10-3 atm-cu m/mole(SRC), derived from its vapor pressure, 42.0 mm Hg(4), and water solubility, 8.69X10+2 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 3.5 hours and 4.7 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 26(SRC), from its log Kow of 2.75(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1-Bromobutane was found to degrade in sediment slurry under anaerobic conditions(9).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-bromobutane, which has a vapor pressure of 42.0 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-bromobutane 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 6.4 days(SRC), calculated from its rate constant of 2.50X10-12 cu cm/molecule-sec at 25 °C(3). 1-Bromobutane does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of 1-bromobutane with photochemically-produced hydroxyl radicals is 2.50X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 6.4 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). The neutral hydrolysis rate constant for 1-bromobutane has been experimentally determined to be 2.99X10-7 per sec at 25 °C(3). The neutral hydrolysis half-life for a brominated compound in the C1 to C6 n-alkyl range, such as 1-bromobutane, has been postulated to be 20-40 days(4). 1-Bromobutane does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 26 was calculated for 1-bromobutane(SRC), using a log Kow of 2.75(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-bromobutane can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-bromobutane is expected to have high mobility in soil.

The Henry's Law constant for 1-bromobutane is estimated as 8.7X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 42.0 mm Hg(1), and water solubility, 8.69X10+2 mg/L(2). This Henry's Law constant indicates that 1-bromobutane is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.7 days(SRC). 1-Bromobutane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-bromobutane from dry soil surfaces may exist(SRC) based upon a vapor pressure of 42.0 mm Hg(1).

GROUNDWATER: 1-Bromobutane was qualitatively identified in treated groundwater in the United Kingdom on October 17, 1978, using mass spectrometry and gas chromatography(1).|DRINKING WATER: 1-Bromobutane has been qualitatively identified in drinking waters in the U.S. as of November 25, 1974 by the U.S. Environmental Protection Agency of Cincinnati, OH(1). It may be formed from the chlorination of finished water, not during prior purification steps (1). Another study conducted in 1975 also qualitatively identified 1-bromobutane in drinking water in the US(2). 1-Bromobutane has also been qualitatively identified in District of Columbia drinking water(3).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 1,821 workers are potentially exposed to n-bromobutane in the US(1). Occupational exposure to n-bromobutane may occur through inhalation and dermal contact with this compound at workplaces where n-bromobutane is produced or used(SRC). Monitoring data indicate that the general population may be exposed to n-bromobutane via ingestion of drinking water(SRC).

/n-Butyl bromide administered orally (at the LD50) was deposited mainly in the brain, liver, and perirenal cellular system, and excreted primarily by the lungs./

The hydrolysis of inorganic bromine in the liver following treatment with brominated hydrocarbons was studied. White-mice were administered ...n-butyl-bromide by inhalation in concentrations of 0.75-25 mmol/mL for up to 60 minutes. ...Concentrations of inorganic bromide in the liver were higher in animals that inhaled saturated, brominated hydrocarbons /(including n-butyl bromide)/ than in those that inhaled the unsaturated compounds. The degree of hydrolysis was also higher with the saturated compounds than with the unsaturated compounds. /It was concluded/ that liver tissue damage is probably caused directly by the brominated hydrocarbons rather than by hydrobromic-acid since this acid is released very slowly during hydrolysis.|Rabbits and rats dosed with 1-bromobutane excrete in urine, in addition to butylmercapturic acid, (2-hydroxybutyl)mercapturic acid, (3-hydroxybutyl)mercapturic acid and 3-(butylthio)lactic acid. Although both species excrete both the hydroxybutylmercapturic acids, only traces of the 2-isomer are excreted by the rabbit. The 3-isomer has been isolated from rabbit urine as the dicyclohexylammonium salt. 3-(Butylthio)lactic acid is formed more readily in the rabbit; only traces are excreted by the rat. Traces of the sulphoxide of butylmercapturic acid have been found in rat urine but not in rabbit urine. In the rabbit about 14% and in the rat about 22% of the dose of 1-bromobutane is excreted in the form of the hydroxymercapturic acids. Slices of rat liver incubated with S-butylcysteine or butylmercapturic acid form both (2-hydroxybutyl)mercapturic acid and (3-hydroxybutyl)mercapturic acid, but only the 3-hydroxy acid is formed by slices of rabbit liver. S-Butylglutathione, S-butylcysteinylglycine and S-butylcysteine are excreted in bile by rats dosed with 1-bromobutane. Rabbits and rats dosed with 1,2-epoxybutane excrete (2-hydroxybutyl)mercapturic acid to the extent of about 4% and 11% of the dose respectively. The following have been synthesized: N-acetyl-S-(2-hydroxybutyl)-l-cysteine [(2-hydroxybutyl)mercapturic acid] and N-acetyl-S-(3-hydroxybutyl)-l-cysteine [(3-hydroxybutyl)mercapturic acid] isolated as dicyclohexylammonium salts, N-toluene-p-sulphonyl-S-(2-hydroxybutyl)-l-cysteine, S-butylglutathione and N-acetyl-S-butylcysteinyl-glycine ethyl ester.

Irritating to the eyes, nose, throat, and upper respiratory tract. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. Irritating to the skin. (USCG, 1999)

INHALATION: Move victim to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. EYES OR SKIN: Flush with water for at least 15 minutes. INGESTION: If conscious, have victim drink water and induce vomiting. If unconscious, do nothing except keep victim warm. Call a physician. (USCG, 1999)

1-bromobutane

Grade: 99% /pure/.

Pharmaceutical and medicine manufacturing|Butane, 1-bromo-: ACTIVE

Fire Hazards -> Flammable - 3rd degree