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  • 间甲基苯乙腈

    2-(3-methylphenyl)acetonitrile

化合物简介

(3-Methylphenyl)acetonitrile was used as a reactant to synthesize potential non-nucleoside reverse transcriptase inhibitors (NNRTIs) against HIV. It was also used as a reactant to prepare hepatitis C virus inhibitors.

基本信息

CAS:2947-60-6
中文别名:间甲苯基乙腈;3-甲基苄腈;3-甲基苯乙腈;间甲苯乙腈;
英文别名:m-Xylyl Cyanide;m-Methylbenzyl cyanide;m-Tolylacetonitrile;Benzeneacetonitrile, 3-methyl-;3-methyl-benzeneacetonitrile;m-Xylyl cyanide;m-methylphenylacetonitrile;3-Methylbenzylcyanide;2-(m-methylphenyl)acetonitrile;2-(3-Methylphenyl)acetonitrile;meta-methylbenzyl cyanide;3-Methylbenzyl Cyanide;3-Methylphenylacetonitrile;M-Tolyacetonitrile;
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:220-962-7

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:1.002g/mLat 25°C(lit.)
沸点:240-241°C(lit.)
熔点:>230ºCF
闪点:>230°F
折射率:n20/D 1.52(lit.)
水溶解性:INSOLUBLE
储存条件:Store in a cool, dry place. Store in a tightly closed container.
蒸汽压:0.0472mmHg at 25°C

安全信息

安全说明:S26-S37/39-S36/37
危险类别码:R20/21/22
WGK Germany:3
危险品运输编码:UN 3276 6.1/PG 3
海关编码:2926909090
危险类别:6.1
包装等级:III
危险品标志:Xn

生产方法及用途

合成路线

上游原料

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图谱

13C NMR : Predict


1H NMR : Predict


13C NMR : in CDCl3


Mass


IR : liquid film


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