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化合物简介
基本信息
CAS:1129-35-7
中文别名:甲基-4-氰基苯甲酸;4-氰基苯甲酸甲酯;
英文别名:Benzoic acid,4-cyano-,methyl ester;EINECS 214-443-4;4-Cyanobenzoic Acid Methyl Ester;4-(methoxycarbonyl)benzonitrile;4-methoxylcarbonylbenzonitrile;Benzoic acid,p-cyano-,methyl ester;methyl p-cyanobenzoate;4-Cyanobenzoic acid methyl ester;4-NC-C6H4-CO2Me;
分子式:C9H7NO2
分子量:161.157
精确质量:161.048
Psa:50.09
Logp:1.34488
中文别名:甲基-4-氰基苯甲酸;4-氰基苯甲酸甲酯;
英文别名:Benzoic acid,4-cyano-,methyl ester;EINECS 214-443-4;4-Cyanobenzoic Acid Methyl Ester;4-(methoxycarbonyl)benzonitrile;4-methoxylcarbonylbenzonitrile;Benzoic acid,p-cyano-,methyl ester;methyl p-cyanobenzoate;4-Cyanobenzoic acid methyl ester;4-NC-C6H4-CO2Me;
分子式:C9H7NO2
分子量:161.157
精确质量:161.048
Psa:50.09
Logp:1.34488
编号系统
MDL号:MFCD00001823
BRN号:1866980
PubChem号:24853823
EINECS号:214-443-4
BRN号:1866980
PubChem号:24853823
EINECS号:214-443-4
物化性质
外观与性状:白色晶体
密度:1.18 g/cm3
沸点:142-144°C12mm Hg(lit.)
熔点:65-67°C(lit.)
闪点:142-144°C/12mm
折射率:1.535
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a cool, dry place. Keep container closed when not in use.
蒸汽压:0.00526mmHg at 25°C
密度:1.18 g/cm3
沸点:142-144°C12mm Hg(lit.)
熔点:65-67°C(lit.)
闪点:142-144°C/12mm
折射率:1.535
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a cool, dry place. Keep container closed when not in use.
蒸汽压:0.00526mmHg at 25°C
安全信息
安全说明:S22-S24/25
危险类别码:R20/21/22
WGK Germany:3
海关编码:2926909090
危险品运输编码:3439
危险类别:6.1
包装等级:III
危险类别码:R20/21/22
WGK Germany:3
海关编码:2926909090
危险品运输编码:3439
危险类别:6.1
包装等级:III
生产方法及用途
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)

ESR : ANION RADICAL, ELECTRORED. IN CH3CN AT RT
