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化合物简介
3-(Bromomethyl)toluene is used to prepare TNF-α converting enzyme (TACE) converting enzyme inhibitors. It is also used to synthesize chromen-4-ones as DNA-dependent protein kinase inhibitors.
基本信息
CAS:620-13-3
中文别名:3-甲基溴苄;3-甲基苄溴;Alpha-溴-间二甲苯;α-溴-间二甲苯;α-溴间二甲苯;
英文别名:1-(bromomethyl)-3-methylbenzene;Benzene, 1-(bromomethyl)-3-methyl-;
分子式:C8H9Br
分子量:185.061
精确质量:183.989
Psa:0.0
Logp:2.8899
中文别名:3-甲基溴苄;3-甲基苄溴;Alpha-溴-间二甲苯;α-溴-间二甲苯;α-溴间二甲苯;
英文别名:1-(bromomethyl)-3-methylbenzene;Benzene, 1-(bromomethyl)-3-methyl-;
分子式:C8H9Br
分子量:185.061
精确质量:183.989
Psa:0.0
Logp:2.8899
编号系统
MDL号:MFCD00000177
物化性质
外观与性状:透明无色液体
密度:1.37g/mLat 25°C(lit.)
沸点:185°C340mm Hg(lit.)
熔点:18ºC
闪点:180°F
折射率:n20/D 1.566(lit.)
水溶解性:practically insoluble
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
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. Store protected from moisture.
密度:1.37g/mLat 25°C(lit.)
沸点:185°C340mm Hg(lit.)
熔点:18ºC
闪点:180°F
折射率:n20/D 1.566(lit.)
水溶解性:practically insoluble
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
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. Store protected from moisture.
安全信息
RTECS号:CY9039200
安全说明:S26-S27-S36/37/39-S45-S7/9
危险类别码:R20/21/22; R34
WGK Germany:3
海关编码:2903999090
危险品运输编码:UN 1701 6.1/PG 2
危险类别:6.1
包装等级:II
危险品标志:C
安全说明:S26-S27-S36/37/39-S45-S7/9
危险类别码:R20/21/22; R34
WGK Germany:3
海关编码:2903999090
危险品运输编码:UN 1701 6.1/PG 2
危险类别:6.1
包装等级:II
危险品标志:C
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl6

Mass

IR : liquid film
