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化合物简介
基本信息
CAS:2947-61-7
中文别名:4-甲基苯乙腈;对甲苯基乙腈;4-甲基苄基氰;对甲苯乙腈;P-甲苯基乙腈;
英文别名:4-Methyl-phenyl-acetonitrile;Benzeneacetonitrile,4-methyl;p-xylyl cyanide;p-Xylyl Cyanide;P-Tolyacetonitrile;4-Methylphenylacetonitrile;p-Methylphenylacetonitrile;4-Methylbenzylcyanide;p-Methylbenzyl cyanide;4-MeC6H4CH2CN;Benzeneacetonitrile, 4-methyl-;p-Tolylacetonitrile;4-Methylbenzyl Cyanide;
分子式:C9H9N
分子量:131.174
精确质量:131.073
Psa:23.79
Logp:2.06108
中文别名:4-甲基苯乙腈;对甲苯基乙腈;4-甲基苄基氰;对甲苯乙腈;P-甲苯基乙腈;
英文别名:4-Methyl-phenyl-acetonitrile;Benzeneacetonitrile,4-methyl;p-xylyl cyanide;p-Xylyl Cyanide;P-Tolyacetonitrile;4-Methylphenylacetonitrile;p-Methylphenylacetonitrile;4-Methylbenzylcyanide;p-Methylbenzyl cyanide;4-MeC6H4CH2CN;Benzeneacetonitrile, 4-methyl-;p-Tolylacetonitrile;4-Methylbenzyl Cyanide;
分子式:C9H9N
分子量:131.174
精确质量:131.073
Psa:23.79
Logp:2.06108
编号系统
EINECS号:220-963-2
MDL号:MFCD00001922
MDL号:MFCD00001922
物化性质
外观与性状:无色至黄色透明液体,无机械杂质可见
密度:0.992g/mLat 25°C(lit.)
沸点:242-243°C(lit.)
熔点:18°C(lit.)
闪点:223°F
折射率:n20/D 1.519(lit.)
储存条件:Store in a cool, dry place. Store in a tightly closed container.
蒸汽压:0.0338mmHg at 25°C
密度:0.992g/mLat 25°C(lit.)
沸点:242-243°C(lit.)
熔点:18°C(lit.)
闪点:223°F
折射率:n20/D 1.519(lit.)
储存条件:Store in a cool, dry place. Store in a tightly closed container.
蒸汽压:0.0338mmHg at 25°C
安全信息
安全说明:S26-S37/39-S36/37
WGK Germany:3
危险类别码:R20/21/22
危险品运输编码:UN 3276 6.1/PG 3
海关编码:29269095
危险类别:6.1
包装等级:III
危险品标志:Xn
WGK Germany:3
危险类别码:R20/21/22
危险品运输编码:UN 3276 6.1/PG 3
海关编码:29269095
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
用途
用作香料、医药、染料及药品中间体。
用作香料、医药、染料及药品中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

Raman : 4880 A,200 M,liquid

IR : liquid film
