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2-溴-3-甲基丁酸

2-溴-3-甲基丁酸用途

用于有机合成。

2-溴-3-甲基丁酸名称

[ CAS 号 ]:
565-74-2

[ 中文名 ]:
2-溴代异戊酸

[ 英文名 ]:
UNII:M69LGV465C

[中文别名 ]:

[英文别名 ]:

DL-2-Bromoisovaleric acid
2-Bromo-3-methylbutyric acid
Butanoic acid, 2-bromo-3-methyl-
dl-2-bromo-3-methylbutyric acid
2-BROMOISOVALERIC ACID
(±)-2-BROMO-3-METHYLBUTYRIC ACID
α-Bromoisovaleric acid
A-BROMOISOVALERIC ACID
2-broMo acid
EINECS 209-291-0

2-溴-3-甲基丁酸物理化学性质

[ 密度 ]:
1.5±0.1 g/cm3

[ 沸点 ]:
230.0±0.0 °C at 760 mmHg

[ 熔点 ]:
39-42 °C(lit.)

[ 分子式 ]:
C₅H₉BrO₂

[ 分子量 ]:
181.028

[ 闪点 ]:
107.2±0.0 °C

[ 精确质量 ]:
179.978592

[ PSA ]:
37.30000

[ LogP ]:
1.73

[ 外观性状 ]:
白色固体

[ 蒸汽压 ]:
0.0±0.9 mmHg at 25°C

[ 折射率 ]:
1.487

[ 储存条件 ]:
库房通风低温干燥

2-溴-3-甲基丁酸MSDS

详细MSDS(安全技术说明书)

2-溴-3-甲基丁酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ES8055000

CHEMICAL NAME :: Butyric acid, 2-bromo-3-methyl-

CAS REGISTRY NUMBER :: 565-74-2

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H9-Br-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 769 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0188-0714

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1410 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0188-0714 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 17600 mg/kg/4W-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0188-0714

2-溴-3-甲基丁酸安全信息

[ 符号 ]:

GHS05, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302 + H312-H314

[ 警示性声明 ]:
P280-P305 + P351 + P338-P310

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ 危害码 (欧洲) ]:
C:Corrosive;

[ 风险声明 (欧洲) ]:
R21/22;R34

[ 安全声明 (欧洲) ]:
S26-S36/37/39-S45

[ 危险品运输编码 ]:
UN 3261 8/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
ES8055000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

[ 海关编码 ]:
29159080

2-溴-3-甲基丁酸制备

1.制法：

于装有回流冷凝器（顶端连接一导管至溴化氢吸收瓶）的反应瓶中，加入用浓硫酸洗涤一次并干燥过的溴150g（0.94mol），再加入新蒸馏过的3-甲基丁酸（2）88g（0.86mol）。慢慢加入三氯化磷1.5mL，水浴加热至70～80℃，溴代反应开始发生，有溴化氯气体逸出。约10～20溴基本反应完。再加入2.5mL溴，升温至100℃，反应2h。先用水泵减压抽出溴化氢，再用油泵减压蒸馏，收集100～125℃/2.0kPa的馏分，得2-溴-3-甲基丁酸（1）124g，收率80%。

2-溴-3-甲基丁酸海关

[ 海关编码 ]: 2915900090

[ 中文概述 ]:
2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ 监管条件 ]: A.入境货物通关单 B.出境货物通关单

[ 检验检疫 ]: R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

2-溴-3-甲基丁酸文献

Glutathione conjugation of the alpha-bromoisovaleric acid enantiomers in the rat in vivo and its stereoselectivity. Pharmacokinetics of biliary and urinary excretion of the glutathione conjugate and the mercapturate.

Biochem. Pharmacol. 38(22) , 3957-62, (1989)

The glutathione (GSH) conjugation of (R)-and (S)-alpha-bromoisovaleric acid (BI) in the rat in vivo, and its stereoselectivity, have been characterized. After administration of racemic [1-14C]BI two r...

Stereoselectivity of rat liver glutathione transferase isoenzymes for alpha-bromoisovaleric acid and alpha-bromoisovalerylurea enantiomers.

Biochem. J. 252(1) , 137-42, (1988)

The stereoselectivity of purified rat GSH transferases towards alpha-bromoisovaleric acid (BI) and its amide derivative alpha-bromoisovalerylurea (BIU) was investigated. GSH transferase 2-2 was the on...

Stereoselective conjugation of 2-bromocarboxylic acids and their urea derivatives by rat liver glutathione transferase 12-12 and some other isoforms.

Biochem. Pharmacol. 44(7) , 1249-53, (1992)

Glutathione (GSH) conjugation of the separate enantiomers of five 2-bromocarboxylic acids and some of their urea derivatives by rat liver GSH transferases (GSTs) was studied. The liver cytosolic fract...

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