化学科研者一站式服务平台
化合物简介
基本信息
CAS:20893-30-5
中文别名:噻吩乙腈;噻吩-2-乙腈;2-噻吩乙睛;
英文别名:thiophen-2-yl-acetonitrile;2-Thiopheneacetonitrile;2-Thiophene-acetonitrile;Thiophene-2-acetonitrile;2-(Thiophen-2-yl)acetonitrile;2-(2-thienyl)ethanenitrile;2-Thienylacetonitrile;2-thiophen-2-ylacetonitrile;2-(Cyanomethyl)thiophene;2-thiophenacetonitrile;2-thiophenylacetonitrile;
分子式:C6H5NS
分子量:123.176
精确质量:123.014
Psa:52.03
Logp:1.81418
中文别名:噻吩乙腈;噻吩-2-乙腈;2-噻吩乙睛;
英文别名:thiophen-2-yl-acetonitrile;2-Thiopheneacetonitrile;2-Thiophene-acetonitrile;Thiophene-2-acetonitrile;2-(Thiophen-2-yl)acetonitrile;2-(2-thienyl)ethanenitrile;2-Thienylacetonitrile;2-thiophen-2-ylacetonitrile;2-(Cyanomethyl)thiophene;2-thiophenacetonitrile;2-thiophenylacetonitrile;
分子式:C6H5NS
分子量:123.176
精确质量:123.014
Psa:52.03
Logp:1.81418
编号系统
MDL号:MFCD00005453
BRN号:106960
EINECS号:244-104-6
PubChem号:24848508
BRN号:106960
EINECS号:244-104-6
PubChem号:24848508
物化性质
外观与性状:暗黄色至棕色液体
密度:1.157g/mLat 25°C(lit.)
沸点:115-120°C22mm Hg(lit.)
熔点:-5ºC
闪点:215°F
折射率:n20/D 1.542(lit.)
稳定性:Stable under normal temperatures and pressures.
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:0.0921mmHg at 25°C
密度:1.157g/mLat 25°C(lit.)
沸点:115-120°C22mm Hg(lit.)
熔点:-5ºC
闪点:215°F
折射率:n20/D 1.542(lit.)
稳定性:Stable under normal temperatures and pressures.
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:0.0921mmHg at 25°C
安全信息
安全说明:S26-S36/37-S23
WGK Germany:3
危险类别码:R20/21/22; R36/37/38
海关编码:29349990
危险品运输编码:UN 3276 6.1/PG 3
危险类别:6.1
包装等级:III
危险品标志:Xn
危险标志:GHS07
危险性防范说明:P261; P280; P305 + P351 + P338
信号词:Warning
危险性描述:H302 + H312 + H332; H315; H319; H335
WGK Germany:3
危险类别码:R20/21/22; R36/37/38
海关编码:29349990
危险品运输编码:UN 3276 6.1/PG 3
危险类别:6.1
包装等级:III
危险品标志:Xn
危险标志:GHS07
危险性防范说明:P261; P280; P305 + P351 + P338
信号词:Warning
危险性描述:H302 + H312 + H332; H315; H319; H335
生产方法及用途
用途
用作医药中间体。
用作医药中间体。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

Mass spectrum (electron ionization)

Mass

IR : liquid film
