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化合物简介
2-Chlorobenzyl cyanide was used in the synthesis of clopidogrel, platelet aggregation inhibitor. It can also be used to synthesize non-peptide CCR1 receptor antagonists.
基本信息
CAS:2856-63-5
中文别名:2-氯苄基氰;2-氯苯乙腈;2\'-氯苯乙腈;2-氯苯基乙腈;邻氯氰苄;
英文别名:(2-Chlorophenyl)acetonitril;2-(2-Chlorophenyl)acetonitrile;2-Chlorobenzeneacetonitrile;2-Chlorobenzyl Cyanide;(2-Chlorophenyl)acetonitrile;2-chloro-benzylcyanide;2-(2-chlorophenyl)ethanenitrile;Benzeneacetonitrile, 2-chloro-;o-Chlorobenzyl cyanide;o-chlorophenylacetonitrile;2-Chlorophenylacetonitrile;
分子式:C8H6ClN
分子量:151.593
精确质量:151.019
Psa:23.79
Logp:2.40608
中文别名:2-氯苄基氰;2-氯苯乙腈;2\'-氯苯乙腈;2-氯苯基乙腈;邻氯氰苄;
英文别名:(2-Chlorophenyl)acetonitril;2-(2-Chlorophenyl)acetonitrile;2-Chlorobenzeneacetonitrile;2-Chlorobenzyl Cyanide;(2-Chlorophenyl)acetonitrile;2-chloro-benzylcyanide;2-(2-chlorophenyl)ethanenitrile;Benzeneacetonitrile, 2-chloro-;o-Chlorobenzyl cyanide;o-chlorophenylacetonitrile;2-Chlorophenylacetonitrile;
分子式:C8H6ClN
分子量:151.593
精确质量:151.019
Psa:23.79
Logp:2.40608
编号系统
MDL号:MFCD00001898
物化性质
外观与性状:固体,在熔点后,透明略黄色
密度:1
沸点:240-242 °C
熔点:21-24 °C
闪点:>110°C
折射率:1.5425-1.5445
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.0177mmHg at 25°C
密度:1
沸点:240-242 °C
熔点:21-24 °C
闪点:>110°C
折射率:1.5425-1.5445
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.0177mmHg at 25°C
安全信息
安全说明:S45-S36/37/39-S28B-S26-S22
危险类别码:R23/24/25; R36/37/38
危险品运输编码:3276
海关编码:29269095
危险类别:6.1
包装等级:III
危险品标志:T
危险类别码:R23/24/25; R36/37/38
危险品运输编码:3276
海关编码:29269095
危险类别:6.1
包装等级:III
危险品标志:T
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 : 400 MHz in CDCl3

Mass

IR : liquid film
