1-Bromo-3-methylbutane
107-82-4CC(C)CCBrYXZFFTJAHVMMLF-UHFFFAOYSA-N1-bromo-3-methylbutane appears as a colorless liquid. Slightly soluble in water and denser than water. Vapors are heavier than air.
107-82-4DTXSID7059353CHEMBL158800Other Classes -> Halogenated Aliphatics, Saturated
Flammable agents - 3rd degree
1.210 g/cu cm at 15 °C
1.207 @25 °C
Miscible with alcohol and ether
In water, 196 mg/L at 16.5 °C
-112 °C
-112 °C
34.6 [mmHg]
34.6 mm Hg at 25 °C
安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。
Danger
H225 (84.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Chemical: Butane, 1-bromo-3-methyl-
REACH registered substance: 1-bromo-3-methylbutane (EC: 203-522-9)
1-Bromo-3-methylbutane: Does not have an individual approval but may be used under an appropriate group standard
The 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.)
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Used in organic synthesis; [Merck Index]
In organic synthesis.
用途有機合成原料。
用途有機合成用薬品
使用1-Bromo-3-methylbutane was used in the synthesis of 1-(3-methylbutyl)pyrrole and in the production of pentyl peroxy radical by direct photolysis production method. It was also used as extraction solvent for determination of polycyclic aromatic hydrocarbons in water samples using liquid-liquid microextraction combined with gas chromatography-mass spectrometry. It is also used as an alkyl halide and organic synthesis reagent.
一般的な説明A colorless liquid. Flash point 21°F. Slightly soluble in water and denser than water. Vapors are heavier than air.
純化方法Shake the bromide with conc H2SO4, wash with water, dry with K2CO3 and fractionally distil it. [Beilstein 1 IV 378.]
読み込み中…
化学的特性clear colourless liquid
Halogenated aliphatic compounds, such as 1-BROMO-3-METHYLBUTANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Low-molecular-weight haloalkanes are highly flammable and can react with some metals to form dangerous products. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Gives toxic fumes of bromine when burned.
/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-BROMO-3-METHYLBUTANE (8 total), please visit the HSDB record page.
1-Bromo-3-methylbutane
UN2341
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
· 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.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
General First Aid:
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Immediate precautionary measure
37 [mg/m3]
410 [mg/m3]
2400 [mg/m3]
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from a measured water solubility of 196 mg/L(2) and a regression derived equation(3), indicates that 1-bromo-3-methylbutane is expected to have moderate mobility in soil(SRC). Volatilization of 1-bromo-3-methylbutane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 3.46X10-2 atm-cu m/mole(4). The potential for volatilization of 1-bromo-3-methylbutane from dry soil surfaces exists(SRC) based upon its vapor pressure of 34.6 mm Hg(4). Biodegradation data were not available(SRC, 2005).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from a measured water solubility of 196 mg/L(2) and a regression derived equation(3), indicates that 1-bromo-3-methylbutane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 3.46X10-2 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 1 hour and 5 days, respectively (SRC). According to a classification scheme(5), an estimated BCF of 32(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). 1-Bromo-3-methylbutane is an alkyl halide which is susceptible to hydrolysis(6). No measured hydrolysis rates were located for this compound. However, the hydrolysis half-life of an analogous compound, 1-bromopropane, is about 26 days at pH 7(7), which suggests 1-bromo-3-methylbutane may undergo hydrolysis(SRC). Biodegradation data were not available(SRC, 2005).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-bromo-3-methylbutane , which has a vapor pressure of 34.6 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-bromo-3-methylbutane 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 5 days(SRC), calculated from its rate constant of 3.6X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).
The Koc of 1-bromo-3-methylbutane is estimated as 240(SRC), using a measured water solubility of 196 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-bromo-3-methylbutane is expected to have moderate mobility in soil(SRC).
No biodegradation data were located for 1-bromo-3-methylbutane(SRC, 2005). 2-Methylbutane was completely biodegraded in 12 days using an activated sludge, following an initial lag period of 5 days(1), suggesting the potential for biodegradation of 1-bromo-3-methylbutane exists(SRC).
An estimated BCF of 32 was calculated for 1-bromo-3-methylbutane (SRC), using a measured water solubility of 196 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
The Henry's Law constant for 1-bromo-3-methylbutane has been measured as 3.46X10-2 atm-cu m/mole(1). This Henry's Law constant indicates that 1-bromo-3-methylbutane is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 1 hour(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). 1-Bromo-3-methylbutane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-bromo-3-methylbutane from dry soil surfaces exists(SRC) based upon its vapor pressure of 34.6 mm Hg at 25 °C(1).
The rate constant for the vapor-phase reaction of 1-bromo-3-methylbutane with photochemically-produced hydroxyl radicals has been estimated as 3.6X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1-Bromo-3-methylbutane is not expected to undergo direct photolysis in the environment since it does not contain functional groups that absorb light in the environmental UV spectrum(SRC). Alkyl halides are susceptible to hydrolysis in the environment(2,3); however, no measured hydrolysis rates were located for this compound. The hydrolysis half-life of an analogous compound, 1-bromopropane, is about 26 days at pH 7(4), which suggests 1-bromo-3-methylbutane may also hydrolyze(SRC).
1-Bromo-3-methylbutane's production and use as an organic synthesis reagent may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 34.6 mm Hg at 25 °C indicates 1-bromo-3-methylbutane will exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-bromo-3-methylbutane will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 5 days. If released to soil, 1-bromo-3-methylbutane is expected to have moderate mobility based upon an estimated Koc of 240. Volatilization from moist soil surfaces is expected to be an important fate process based upon a Henry's Law constant of 3.46X10-2 atm-cu m/mole. The potential for volatilization of 1-bromo-3-methylbutane from dry soil surfaces exists based upon its vapor pressure. No biodegradation data were located for 1-bromo-3-methylbutane. If released into water, 1-bromo-3-methylbutane is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 1 hour and 5 days, respectively. 1-Bromo-3-methylbutane is an alkyl halide which is susceptible to hydrolysis; however the rate of this reaction has not been measured. The hydrolysis half-life of an analogous compound, 1-bromopropane, is about 26 days at pH 7, which suggests 1-bromo-3-methylbutane may undergo hydrolysis. An estimated BCF of 32 suggests the potential for bioconcentration in aquatic organisms is moderate. Occupational exposure to 1-bromo-3-methylbutane may occur through inhalation and dermal contact with this compound at workplaces where 1-bromo-3-methylbutane is produced or used. (SRC)
LD50 Rat ip 6150 mg/kg
LD50 Mouse ip 13750 mg/kg