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化合物简介
1,3-Dichloro-2-methyl-benzene is a useful synthetic intermediate. It can be used to prepare aryloxymethyl-substituted dibenzo[b,f]azocines as potential protein kinase A inhibitors. It can also be used to prepare dimethylglycine sulfonamides as potential bradykinin hB2 receptor antagonists.
基本信息
CAS:118-69-4
中文别名:1,3-二氯-2-甲基苯;2,6-二氯甲苯(二氯甲苯);1,3-二氯-2-甲苯;2,6-二氯基甲苯;2,6-二氯甲苯;
英文别名:Benzene,1,3-dichloro-2-methyl;Toluene,2,6-dichloro;1,3-Dichloro-2-methyl-benzene;2,6-dichloro-toluen;2,6-Dichlor-toluol;Benzene, 1,3-dichloro-2-methyl-;1,3-dichloro-2-methyl-benzen;2,6-dichloro-toluene;1,3-DICHLORO-2-METHYLBENZENE;2,6-DICHLOROTOLUENE FOR SYNTHESIS;2,5-DICHLOROBENZYL CYANIDE;DICHLOROTOLUENE MIXTURE;2,6-DCT;1,3-dichloro-2-methylbenzene;
分子式:C7H6Cl2
分子量:161.029
精确质量:159.985
Psa:0.0
Logp:3.3018
中文别名:1,3-二氯-2-甲基苯;2,6-二氯甲苯(二氯甲苯);1,3-二氯-2-甲苯;2,6-二氯基甲苯;2,6-二氯甲苯;
英文别名:Benzene,1,3-dichloro-2-methyl;Toluene,2,6-dichloro;1,3-Dichloro-2-methyl-benzene;2,6-dichloro-toluen;2,6-Dichlor-toluol;Benzene, 1,3-dichloro-2-methyl-;1,3-dichloro-2-methyl-benzen;2,6-dichloro-toluene;1,3-DICHLORO-2-METHYLBENZENE;2,6-DICHLOROTOLUENE FOR SYNTHESIS;2,5-DICHLOROBENZYL CYANIDE;DICHLOROTOLUENE MIXTURE;2,6-DCT;1,3-dichloro-2-methylbenzene;
分子式:C7H6Cl2
分子量:161.029
精确质量:159.985
Psa:0.0
Logp:3.3018
编号系统
PubChem号:24869594
EINECS号:204-269-7
BRN号:1907194
MDL号:MFCD00000576
EINECS号:204-269-7
BRN号:1907194
MDL号:MFCD00000576
物化性质
外观与性状:透明无色液体
密度:1.254g/mLat 25°C(lit.)
沸点:196-203°C(lit.)
熔点:2 °C
闪点:82 °C
折射率:n20/D 1.55(lit.)
水溶解性:24 mg/L (20 ºC)
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.
蒸汽压:0.561mmHg at 25°C
密度:1.254g/mLat 25°C(lit.)
沸点:196-203°C(lit.)
熔点:2 °C
闪点:82 °C
折射率:n20/D 1.55(lit.)
水溶解性:24 mg/L (20 ºC)
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.
蒸汽压:0.561mmHg at 25°C
安全信息
安全说明:S26-S36/37/39-S45-S24/25-S37/39
WGK Germany:2
危险类别码:R22; R23; R36/37/38; R40; R41
海关编码:2903999090
危险品运输编码:UN 2810
危险类别:9
包装等级:III
危险品标志:T; Xi
WGK Germany:2
危险类别码:R22; R23; R36/37/38; R40; R41
海关编码:2903999090
危险品运输编码:UN 2810
危险类别:9
包装等级:III
危险品标志:T; Xi
生产方法及用途
生产方法
由3-氯-2-甲基苯胺经重氮化、置换而得。 用作新型农药、医药中间体。
用途
用作新型农药、医药中间体。
由3-氯-2-甲基苯胺经重氮化、置换而得。 用作新型农药、医药中间体。
用途
用作新型农药、医药中间体。
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

Mass spectrum (electron ionization)

Mass

Raman : 4880 A,200 M,liquid

IR : liquid film
