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化合物简介
Isopropyl cyanide is a complex organic molecule that has been recently found in several meteorites arrived from space. The singularity of this chemical is due to the fact that it is the only one among the molecules arriving from the universe that has a branched, rather than straight, carbon backbone which is larger than usual, in comparison with others.
基本信息
CAS:78-82-0
中文别名:2-甲基丙腈;
英文别名:Propanenitrile,2-methyl;isobutylnitrile;2-Cyanopropane;Dimethylacetonitrile;2-methylpropiononitrile;2-Methylpropionitrile;Isopropylnitrile;1-Cyano-1-methylethane;Isopropyl cyanide;Propanenitrile, 2-methyl-;iso-butyronitrile;
分子式:C4H7N
分子量:69.1051
精确质量:69.0578
Psa:23.79
Logp:1.16598
中文别名:2-甲基丙腈;
英文别名:Propanenitrile,2-methyl;isobutylnitrile;2-Cyanopropane;Dimethylacetonitrile;2-methylpropiononitrile;2-Methylpropionitrile;Isopropylnitrile;1-Cyano-1-methylethane;Isopropyl cyanide;Propanenitrile, 2-methyl-;iso-butyronitrile;
分子式:C4H7N
分子量:69.1051
精确质量:69.0578
Psa:23.79
Logp:1.16598
编号系统
EINECS号:201-147-5
MDL号:MFCD00001873
MDL号:MFCD00001873
物化性质
外观与性状:无色液体,有恶臭。
密度:0.770g/mLat 20°C(lit.)
沸点:107-108°C(lit.)
熔点:-72 °C
闪点:39°F
折射率:n20/D 1.372(lit.)
水溶解性:35 g/L (20 ºC)
稳定性:Stable. Flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents.
储存条件:Flammables area
蒸汽密度:2.38 (vs air)
蒸汽压:100 mm Hg ( 54.4 °C)
密度:0.770g/mLat 20°C(lit.)
沸点:107-108°C(lit.)
熔点:-72 °C
闪点:39°F
折射率:n20/D 1.372(lit.)
水溶解性:35 g/L (20 ºC)
稳定性:Stable. Flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents.
储存条件:Flammables area
蒸汽密度:2.38 (vs air)
蒸汽压:100 mm Hg ( 54.4 °C)
安全信息
RTECS号:TZ4900000
安全说明:S9-S16-S24/25-S26-S36/37/39-S45-S23
危险类别码:R11; R23/24/25
WGK Germany:2
危险品运输编码:UN 2284 3/PG 2
危险类别:3
包装等级:II
危险品标志:F; T
安全说明:S9-S16-S24/25-S26-S36/37/39-S45-S23
危险类别码:R11; R23/24/25
WGK Germany:2
危险品运输编码:UN 2284 3/PG 2
危险类别:3
包装等级:II
危险品标志:F; T
生产方法及用途
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上游原料
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

1H NMR : parameter in benzene

Mass spectrum (electron ionization)

Mass

ESR : PHOTOLYSIS IN H2O2/H2O, 36C

Raman : 4880 A,200 M,liquid

IR : liquid film

IR : CCl4 solution
