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化合物简介
基本信息
CAS:2338-76-3
中文别名:3-三氟甲基苯乙腈;间-三氟甲基苯乙腈;3-(三氟甲基)苯乙腈;3-(三氟甲基)苯基乙腈;
英文别名:2-(3-trifluoromethylphenyl)acetonitrile;2-(m-(trifluoromethyl)phenyl)acetonitrile;3-(Trifluoromethyl)benzyl Cyanide;3-(TrifluoroMethyl)phenylacetonitrile;3-Trifluoromethylphenylacetonitrile;3-trifluoromethylbenzylcyanide;3-trifluoromethylbenzylnitrile;nc1r cxfff;Benzeneacetonitrile,3-(trifluoromethyl);m-Trifluoromethylbenzyl cyanide;3-Trifluoromethylbenzylcyanide;
分子式:C9H6F3N
分子量:185.146
精确质量:185.045
Psa:23.79
Logp:2.77148
中文别名:3-三氟甲基苯乙腈;间-三氟甲基苯乙腈;3-(三氟甲基)苯乙腈;3-(三氟甲基)苯基乙腈;
英文别名:2-(3-trifluoromethylphenyl)acetonitrile;2-(m-(trifluoromethyl)phenyl)acetonitrile;3-(Trifluoromethyl)benzyl Cyanide;3-(TrifluoroMethyl)phenylacetonitrile;3-Trifluoromethylphenylacetonitrile;3-trifluoromethylbenzylcyanide;3-trifluoromethylbenzylnitrile;nc1r cxfff;Benzeneacetonitrile,3-(trifluoromethyl);m-Trifluoromethylbenzyl cyanide;3-Trifluoromethylbenzylcyanide;
分子式:C9H6F3N
分子量:185.146
精确质量:185.045
Psa:23.79
Logp:2.77148
编号系统
RTECS号:CY1820000
MDL号:MFCD00001913
EINECS号:219-053-8
PubChem号:24851897
BRN号:909640
MDL号:MFCD00001913
EINECS号:219-053-8
PubChem号:24851897
BRN号:909640
物化性质
外观与性状:灰白-黄色液体
密度:1.187g/mLat 25°C(lit.)
沸点:92-93°C4mm Hg(lit.)
闪点:120°F
折射率:n20/D 1.4565(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
蒸汽压:0.0413mmHg at 25°C
密度:1.187g/mLat 25°C(lit.)
沸点:92-93°C4mm Hg(lit.)
闪点:120°F
折射率:n20/D 1.4565(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
蒸汽压:0.0413mmHg at 25°C
安全信息
RTECS号:CY1820000
安全说明:S16-S26-S27-S36/37/39
WGK Germany:3
危险类别码:R10; R20/21/22; R36/37/38
危险品运输编码:UN 1993 3/PG 3
海关编码:2926909090
危险类别:3
包装等级:III
危险品标志:Xn
安全说明:S16-S26-S27-S36/37/39
WGK Germany:3
危险类别码:R10; R20/21/22; R36/37/38
危险品运输编码:UN 1993 3/PG 3
海关编码:2926909090
危险类别:3
包装等级:III
危险品标志:Xn
生产方法及用途
生产方法
可由3-三氟甲基甲苯与ClCN(摩尔比5.6 用于制备杀虫剂、药物及除草剂中间体,还可用作磁记录材料的防蚀涂层。
用途
用于制备杀虫剂、药物及除草剂中间体,还可用作磁记录材料的防蚀涂层。
可由3-三氟甲基甲苯与ClCN(摩尔比5.6 用于制备杀虫剂、药物及除草剂中间体,还可用作磁记录材料的防蚀涂层。
用途
用于制备杀虫剂、药物及除草剂中间体,还可用作磁记录材料的防蚀涂层。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
