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  • 4-溴丁酸

    4-bromobutanoic acid

化合物简介

4-Bromobutyric Acid is used in the preparation of analgesic and anti-inflammatory agents as nitroalkyl ethers. It is also used in the synthesis of Autotaxin (ENPP2) inhibitors, used in tissue fibrosis regulation, cancer cell invasion and metastasis.

基本信息

CAS:2623-87-2
中文别名:4-溴正丁酸;
英文别名:Butanoic acid,4-bromo;ethyl 4-bromobutyrate;4-Bromo-n-butyric acid;Butyric acid,4-bromo;Butanoic acid, 4-bromo-;4-Bromobutanoic acid;4-Bromobutyric acid;
分子式:C4H7BrO2
分子量:167.001
精确质量:165.963
Psa:37.3
Logp:1.2461

编号系统

PubChem号:24855626
BRN号:1743056
EINECS号:220-083-9
MDL号:MFCD00002817

物化性质

外观与性状:略黄色固体
密度:1.631g/cm3
沸点:128-131°C11mm Hg(lit.)
熔点:30-31°C(lit.)
闪点:115 °C
折射率:1.4825 (24ºC)
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Keep containers tightly closed.
蒸汽压:0.00763mmHg at 25°C

安全信息

安全说明:S26-S36/37/39-S45-S28A
危险类别码:R34
WGK Germany:3
海关编码:29159080
危险品运输编码:UN 3261 8/PG 3
危险类别:8
包装等级:III
危险品标志:C

生产方法及用途

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图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


13C NMR : in CDCl3


1H NMR : 90 MHz in CDCl3


Mass spectrum (electron ionization)


Mass


IR : nujol mull


IR : KBr disc


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