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化合物简介
Methyl 4-Bromocrotonate is a useful synthetic intermediate. It was used in the synthesis of irreversible inhibitors of EGFR and HER-2 tyrosine kinases with enhanced antitumor activities.
基本信息
CAS:1117-71-1
中文别名:4-溴代巴豆酸甲酯;4-溴丁烯酸甲酯;4-溴代巴豆酸酯;
英文别名:TRANS-METHYL-4-BROMOCROTONATE;2-Butenoic acid, 4-bromo-, methyl ester;4-bromocrotonic acid methyl ester;trans-4-Bromo-2-butenoic Acid Methyl Ester;methyl4-bromo-2-butenoate;methyl 4-bromo-crotonate;4-Bromocrotonic Acid Methyl Ester;Methyl 4-Bromocrotonate;methyl trans-4-bromo-2-butenoate;Methyl Trans-4-Bromocrotonate;Methyl trans-4-Bromo-2-butenoate;Methyl bromocrotonate;Methyl 4-bromobut-2-enoate;
分子式:C5H7BrO2
分子量:179.012
精确质量:177.963
Psa:26.3
Logp:1.1105
中文别名:4-溴代巴豆酸甲酯;4-溴丁烯酸甲酯;4-溴代巴豆酸酯;
英文别名:TRANS-METHYL-4-BROMOCROTONATE;2-Butenoic acid, 4-bromo-, methyl ester;4-bromocrotonic acid methyl ester;trans-4-Bromo-2-butenoic Acid Methyl Ester;methyl4-bromo-2-butenoate;methyl 4-bromo-crotonate;4-Bromocrotonic Acid Methyl Ester;Methyl 4-Bromocrotonate;methyl trans-4-bromo-2-butenoate;Methyl Trans-4-Bromocrotonate;Methyl trans-4-Bromo-2-butenoate;Methyl bromocrotonate;Methyl 4-bromobut-2-enoate;
分子式:C5H7BrO2
分子量:179.012
精确质量:177.963
Psa:26.3
Logp:1.1105
编号系统
MDL号:MFCD00000246
EINECS号:214-251-0
PubChem号:24896822
BRN号:1745755
EINECS号:214-251-0
PubChem号:24896822
BRN号:1745755
物化性质
外观与性状:透明略黄色液体
密度:1.522g/mLat 25°C(lit.)
沸点:83-85°C13mm Hg(lit.)
闪点:197°F
折射率:n20/D 1.501
稳定性:Stable under normal temperatures and pressures.
储存条件:2-8ºC
蒸汽压:0.358mmHg at 25°C
密度:1.522g/mLat 25°C(lit.)
沸点:83-85°C13mm Hg(lit.)
闪点:197°F
折射率:n20/D 1.501
稳定性:Stable under normal temperatures and pressures.
储存条件:2-8ºC
蒸汽压:0.358mmHg at 25°C
安全信息
RTECS号:GQ3120000
安全说明:S26-S39-S45-S36/37/39
WGK Germany:3
危险类别码:R20/21/22; R34
危险品运输编码:3265
海关编码:2916190090
危险类别:8
包装等级:III
危险品标志:C
安全说明:S26-S39-S45-S36/37/39
WGK Germany:3
危险类别码:R20/21/22; R34
危险品运输编码:3265
海关编码:2916190090
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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Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
