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  • 4-甲基氯苄

    4-Methylbenzyl chloride

化合物简介

α-Chloro-p-methyltoluene is a building block that has been used as a reactant for the preparation of 6-aminoquinolone derivatives as submicromolar hepatitis C virus NS5B inhibitors

基本信息

CAS:104-82-5
中文别名:对甲基氯苄;
英文别名:Benzene, 1-(chloromethyl)-4-methyl-;4-Methylbenzyl Chloride;α-Chloro-p-xylene;1-(chloromethyl)-4-methylbenzene;alpha-Chloro-p-xylene;
分子式:C8H9Cl
分子量:140.61
精确质量:140.039
Psa:0.0
Logp:2.7338

编号系统

PubChem号:24892958
BRN号:507387
MDL号:MFCD00000919
EINECS号:203-241-1
RTECS号:ZE4030000

物化性质

外观与性状:透明无色至淡黄色液体,带有一种刺激的气味
密度:1.062g/mLat 25°C(lit.)
沸点:200°C(lit.)
熔点:4°C(lit.)
闪点:168°F
折射率:n20/D 1.533(lit.)
水溶解性:Insoluble
稳定性:Stable under normal temperatures and pressures. Fuming liquid.
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. Refrigerator (approx 4ºC).
蒸汽压:0.504mmHg at 25°C

安全信息

RTECS号:ZE4030000
安全说明:S26-S27-S36/37/39-S45-S37/39
危险类别码:R36/37/38
WGK Germany:1
海关编码:2942000000
危险品运输编码:UN 2922 8/PG 3
危险类别:8
包装等级:III
危险品标志:Xi

生产方法及用途

用途
有机合成中间体,用于制造对甲基苯甲醇、对甲基苯甲醛等。

合成路线

上游原料

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图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


13C NMR : in CDCl3


Mass spectrum (electron ionization)


Mass


Raman : 4880 A,200 M,liquid


IR : liquid film


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