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  • 间氯氰苄

    3-Chlorobenzyl cyanide

化合物简介

3-Chlorobenzyl Cyanide is a useful synthetic intermediate. It was used to design EGFR Tyrosine Kinase Inhibitors. It can also be used to synthesize imidoyl thioureas as non-nucleoside reverse transcriptase inhibitors.

基本信息

CAS:1529-41-5
中文别名:间氯苯乙腈;3-氯苯乙腈;(3-氯苯基)乙腈;3-氯苄氰;
英文别名:Benzeneacetonitrile, 3-chloro-;3-Chlorophenylacetonitrile;2-(3-chlorophenyl)acetonitrile;(3-Chlorophenyl)acetonitrile;
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

RTECS号:AL8240000
EINECS号:216-213-9
MDL号:MFCD00001908
BRN号:2042965
PubChem号:24892529

物化性质

外观与性状:透明无色至淡的黄色液体
密度:1.283g/mLat 25°C(lit.)
沸点:134-136°C10mm Hg(lit.)
熔点:11-13°C(lit.)
闪点:>230°F
折射率:n20/D 1.544(lit.)
稳定性:Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.
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:0.00704mmHg at 25°C

安全信息

RTECS号:AL8240000
安全说明:S36/37/39-S45-S28B
危险类别码:R23/24/25; R36/37/38
WGK Germany:3
海关编码:2926909090
危险品运输编码:UN 3276 6.1/PG 1
危险类别:6.1
包装等级:II
危险品标志:T

生产方法及用途

用途
有机合成原料和溶剂

合成路线

上游原料

下游产品

图谱

13C NMR : Predict


1H NMR : Predict


13C NMR : in CDCl3


1H NMR : 400 MHz in CDCl3


Mass spectrum (electron ionization)


Mass


IR : liquid film


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