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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
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
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
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
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
合成路线
-
参考文献
Kad, Goverdhan L.; Kaur, Irvinder; Bhandari, Monica; Singh, Jasvinder; Kaur, Jasamrit Organic Process Research and Development, 2003 , vol. 7, # 3 p. 339 - 340
上游原料
下游产品
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
