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化合物简介
2-Methylphenylacetonitrile was used as a reactant to synthesize potential non-nucleoside reverse transcriptase inhibitors (NNRTIs) against HIV. It was also used to prepare derivatives of isoquinoline-1-carboxaldehyde thiosemicarbazone with antitumor activity.
基本信息
CAS:22364-68-7
中文别名:2-甲基苯乙腈;邻甲苯乙腈;O-甲基苯腈;邻甲苯基乙腈;α-甲基苄腈;α-甲基苯乙腈;
英文别名:2-Methylbenzyl Cyanide;2-(o-Tolyl)acetonitrile;o-Xylyl cyanide;2-Methylphenylacetonitrile;2-Methylphenylacetonitrile 2-Methylbenzyl cyanide;2-methylbenzoacetonitrile;o-Xylyl Cyanide;2-Methylbenzyl cyanide;Benzeneacetonitrile, 2-methyl-;o-Methylbenzyl cyanide;o-Methylphenylacetonitrile;o-Tolylacetonitrile;
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:2-甲基苯乙腈;邻甲苯乙腈;O-甲基苯腈;邻甲苯基乙腈;α-甲基苄腈;α-甲基苯乙腈;
英文别名:2-Methylbenzyl Cyanide;2-(o-Tolyl)acetonitrile;o-Xylyl cyanide;2-Methylphenylacetonitrile;2-Methylphenylacetonitrile 2-Methylbenzyl cyanide;2-methylbenzoacetonitrile;o-Xylyl Cyanide;2-Methylbenzyl cyanide;Benzeneacetonitrile, 2-methyl-;o-Methylbenzyl cyanide;o-Methylphenylacetonitrile;o-Tolylacetonitrile;
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
BRN号:907182
EINECS号:244-937-5
MDL号:MFCD00001904
RTECS号:AM2290000
PubChem号:24854036
EINECS号:244-937-5
MDL号:MFCD00001904
RTECS号:AM2290000
PubChem号:24854036
物化性质
外观与性状:淡黄色液体
密度:1.05
沸点:244-250 °C
熔点:58 - 59ºC
闪点:>110°C
折射率:1.5264-1.5284
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:4.52E-10mmHg at 25°C
密度:1.05
沸点:244-250 °C
熔点:58 - 59ºC
闪点:>110°C
折射率:1.5264-1.5284
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:4.52E-10mmHg at 25°C
安全信息
RTECS号:AM2290000
安全说明:S36/37-S37/39-S27-S26
危险类别码:R20/21/22
海关编码:2926909090
危险品运输编码:3439
危险类别:6.1
包装等级:III
危险品标志:Xn
安全说明:S36/37-S37/39-S27-S26
危险类别码:R20/21/22
海关编码:2926909090
危险品运输编码:3439
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
生产方法
用苯乙腈在碱性条件下与硫酸二甲酯反应制得。 氟比洛芬、吡咯芬的中间体
用途
氟比洛芬、吡咯芬的中间体
用苯乙腈在碱性条件下与硫酸二甲酯反应制得。 氟比洛芬、吡咯芬的中间体
用途
氟比洛芬、吡咯芬的中间体
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

IR : liquid film
