2-브로모-2-메틸프로판

t-Butyl bromide

HCID 10485CAS 507-19-7

기본 정보

표준 SMILES
CC(C)(C)Br
InChIKey
RKSOPLXZQNSWAS-UHFFFAOYSA-N
분자식
C4H9Br
평균 분자량
137.02 g/mol
단동위원소 질량
135.98876239

개요

T-butyl bromide appears as a colorless liquid. Slightly denser than water and insoluble in water. Harmful if inhaled.

이름 및 식별자

우선 이름
t-Butyl bromide
IUPAC
2-bromo-2-methylpropane
현지명
2-브로모-2-메틸프로판
영어명
2-Bromo-2-methylpropane
분자식
C4H9Br
분자량
137.02

이름 및 동의어

2-Bromo-2-methylpropanetert-Butyl bromide507-19-7T-BUTYL BROMIDETrimethylbromomethane2-BromoisobutanePropane, 2-bromo-2-methyl-Bromotrimethylmethane2-methyl-2-bromopropaneTertiarybutyl bromide1,1-Dimethylethyl chlorideNSC 8418
이름 더 보기
2-브로모-2-메틸프로판tert-C4H9Brtert.-Butylbromid2-Bromo-iso-butanebromomethylpropanesButylbromide, tert-
CCRIS 107HSDB 2196tertbutyl bromide1,1-Dimethylethyl bromideEINECS 208-065-95LWO08435UNSC-8418BUTYL BROMIDE, TERT-

데이터베이스 식별자

CAS
507-19-7
PubChem CID
10485
DTXSID
DTXSID5060144
ChEMBL
CHEMBL347644
UNII
5LWO08435U
EC Number
208-065-9
Nikkaji
J409J

물성

구조 계산 물성

XLogP
2
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Halogenated Aliphatics, Saturated

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
LogP1.15
Density1.2125 at 25 °C/4 °C
Color/FormColorless liquid
Solubility · 2건

Miscible with organic solvents

In water, 600 mg/L at 25 °C

물리화학적 성질

녹는점
-20 °C · -20 °C
끓는 점
72 °C · 72 °C
밀도
1.22 g/mL · 1.22 g/mL at 20 °C(lit.)
증기압
179.9 hPa · 179.9 hPa (25 °C)
굴절률
20 · n20/D 1.4279(lit.)
인화점
65 °F · 65 °F

화학적 성질

CLEAR COLOURLESS TO YELLOW-BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Propane, 2-bromo-2-methyl-

Propane, 2-bromo-2-methyl-: HSNO Approval: HSR001088 Approved with controls

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.)

DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Health HazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Hazards Summary · 1건

Caused local irritation and necrosis to skin of mice and eyes of rabbits; Positive results in mutagenicity test; Emergency medical treatment: see 2-Bromopropane. [HSDB] Tumorigenic; [RTECS] Highly flammable; May cause irritation or burns to skin and eyes; [CAMEO]

Reactive GroupHalogenated Organic Compounds

안전 및 보호

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
First AidExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Disposal Methods · 1건

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.

Isolation and EvacuationExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 128(SRC), determined from a measured water solubility of 600 mg/L(2) and a regression derived equation(3), indicates that t-butyl bromide is expected to have high mobility in soils. Volatilization of t-butyl bromide from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.041 atm-cu m/mole(SRC) calculated from a vapor pressure of 135 mm Hg(4) and the water solubility(2). The potential for volatilization of t-butyl bromide from dry soil surfaces exists(SRC) based upon its vapor pressure(4). Biodegradation data were not available(SRC, 2005).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 128(SRC), determined from a measured water solubility of 600 mg/L(2) and a regression derived equation(3), indicates that t-butyl bromide is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected to occur rapidly(3) based upon an estimated Henry's Law constant of 0.041 atm-cu m/mole(SRC), calculated from a vapor pressure of 135 mm Hg(4) and the water solubility(2). 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 16(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). t-Butyl bromide is an alkyl halide which is susceptible to hydrolysis; however the rate of this reaction has not been measured for this particular compound. Hydrolysis of t-butyl bromide is likely in water at pH 7, 25 °C, as similar compounds, t-butyl chloride and isopropyl bromide have half-lives of 23 seconds and 2.1 days, respectively(6). 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), t-butyl bromide , which has a vapor pressure of 135 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase t-butyl bromide 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 39 days(SRC), calculated from its rate constant of 4.1X10-13 cu cm/molecule-sec at 25 °C that was derived using a structure estimation method(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Soil Adsorption/Mobility · 1건

The Koc of t-butyl bromide is estimated as 128(SRC), using a measured water solubility of 600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that t-butyl bromide is expected to have high mobility in soil(SRC).

Artificial Pollution Sourcest-Butyl bromide's production and subsequent use as a laboratory reagent for organic synthesis(1,2) may result in its release to the environment through various waste streams(SRC).
Environmental Bioconcentration · 1건

An estimated BCF of 16 was calculated for t-butyl bromide (SRC), using a measured water solubility of 600 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 low(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for t-butyl bromide is estimated as 0.041 atm-cu m/mole(SRC) derived from its vapor pressure, 135 mm Hg(1), and water solubility, 600 mg/L(2). This Henry's Law constant indicates that t-butyl bromide is expected to volatilize rapidly 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 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)(3) is estimated as 5 days(SRC). t-Butyl bromide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of t-butyl bromide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
TX4150000
ridadr
UN 2342 3/PG 2
HS 번호
29033036
risk_code
11-36/37/38

화학 및 산업

약리 정보

Absorption, Distribution and ExcretionTert-butyl bromide absorbed through skin of mice.

용도 및 제조

Uses · 2건

Used as a laboratory reagent for organic synthesis; [HSDB]

Laboratory reagent for organic synthesis

General Manufacturing InformationPropane, 2-bromo-2-methyl-: ACTIVE

응용 분야

용도2-Bromo-2-methylpropane was used to study the massive deadenylation of adenine based-nucleosides induced by halogenated alkanes under physiological conditions.

일반 설명A colorless liquid. Slightly denser than water and insoluble in water. Flash point between 64 - 73°F. Harmful if inhaled.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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