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化合物简介
基本信息
CAS:445-01-2
中文别名:4-溴-1-氯-2-(三氟甲基)苯;2-氯-5-溴三氟甲苯;5-溴-2-氯-α,α,α-三氟甲苯;
英文别名:5-BroMo-2-chlorobenzotrifluoride;4-bromo-1-chloro-2-(trifluoromethyl)benzene;5-Bromo-2-chloro-α,α,α-trifluorotoluene;Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)-;4-Bromo-1-chloro-2-(trifluoromethyl)benzene;
分子式:C7H3BrClF3
分子量:259.451
精确质量:257.906
Psa:0.0
Logp:4.1213
中文别名:4-溴-1-氯-2-(三氟甲基)苯;2-氯-5-溴三氟甲苯;5-溴-2-氯-α,α,α-三氟甲苯;
英文别名:5-BroMo-2-chlorobenzotrifluoride;4-bromo-1-chloro-2-(trifluoromethyl)benzene;5-Bromo-2-chloro-α,α,α-trifluorotoluene;Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)-;4-Bromo-1-chloro-2-(trifluoromethyl)benzene;
分子式:C7H3BrClF3
分子量:259.451
精确质量:257.906
Psa:0.0
Logp:4.1213
编号系统
MDL号:MFCD00000601
物化性质
外观与性状:无色液体
密度:1.745g/mLat 25°C(lit.)
沸点:76-81 °C (11 mmHg)
熔点:-21°C
闪点:178°F
折射率:n20/D 1.507(lit.)
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:0.499mmHg at 25°C
密度:1.745g/mLat 25°C(lit.)
沸点:76-81 °C (11 mmHg)
熔点:-21°C
闪点:178°F
折射率:n20/D 1.507(lit.)
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:0.499mmHg at 25°C
安全信息
安全说明:S26-S27-S28-S36/37/39
危险类别码:R36/37/38
WGK Germany:3
海关编码:2903999090
危险品标志:Xi
危险类别码:R36/37/38
WGK Germany:3
海关编码:2903999090
危险品标志:Xi
生产方法及用途
用途
五氟利多的中间体,染料中间体。
五氟利多的中间体,染料中间体。
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

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

1H NMR : in CDCl3

Mass spectrum (electron ionization)

Mass

IR : liquid film
