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化合物简介
4-(Trifluoromethoxy)phenyl Isocyanate is a reactant in the synthesis of 4-aryl-7-hydroxyindoline-based P2Y1 antagonists as novel antiplatelet agents.
基本信息
CAS:35037-73-1
中文别名:对三氟甲氧基苯异氰酸酯;对三氟甲氧基苯基异氰酸酯;4-(三氟甲氧基)苯基异氰酸酯;异氰酸4-(三氟甲氧基)苯酯;三氟甲氧基苯基异氰酸酯;
英文别名:p-(trifluoromethoxy)phenol;4-trifluoroMethoxylphenol;4-(Trifluoromethoxy)phenyl Isocyanate;PHENOL,4-(TRIFLUOROMETHOXY);1-isocyanato-4-[(trifluoromethyl)oxy]benzene;p-Trifluoromethoxy p;p-(Trifluoromethoxy)phenyl isocyanate;Isocyanic Acid 4-(Trifluoromethoxy)phenyl Ester;1-isocyanato-4-(trifluoromethoxy)benzene;4-(triflioromethoxy)phenol;TFMOPO;p-(Triflourmethoxy)phenol;4-(Trifluoromethoxy)phenol;p-(trifluoromethoxy)-phenyl isocyanate;(4-trifluoromethoxyphenyl)isocyanate;
分子式:C8H4F3NO2
分子量:203.118
精确质量:203.019
Psa:38.66
Logp:2.5525
中文别名:对三氟甲氧基苯异氰酸酯;对三氟甲氧基苯基异氰酸酯;4-(三氟甲氧基)苯基异氰酸酯;异氰酸4-(三氟甲氧基)苯酯;三氟甲氧基苯基异氰酸酯;
英文别名:p-(trifluoromethoxy)phenol;4-trifluoroMethoxylphenol;4-(Trifluoromethoxy)phenyl Isocyanate;PHENOL,4-(TRIFLUOROMETHOXY);1-isocyanato-4-[(trifluoromethyl)oxy]benzene;p-Trifluoromethoxy p;p-(Trifluoromethoxy)phenyl isocyanate;Isocyanic Acid 4-(Trifluoromethoxy)phenyl Ester;1-isocyanato-4-(trifluoromethoxy)benzene;4-(triflioromethoxy)phenol;TFMOPO;p-(Triflourmethoxy)phenol;4-(Trifluoromethoxy)phenol;p-(trifluoromethoxy)-phenyl isocyanate;(4-trifluoromethoxyphenyl)isocyanate;
分子式:C8H4F3NO2
分子量:203.118
精确质量:203.019
Psa:38.66
Logp:2.5525
编号系统
MDL号:MFCD00035702
物化性质
外观与性状:透明无色至略黄色液体
密度:1.346g/mLat 25°C(lit.)
沸点:78 °C (22 mmHg)
熔点:-29°C
闪点:158°F
折射率:n20/D 1.458(lit.)
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Refrigerator (+4ºC)
密度:1.346g/mLat 25°C(lit.)
沸点:78 °C (22 mmHg)
熔点:-29°C
闪点:158°F
折射率:n20/D 1.458(lit.)
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Refrigerator (+4ºC)
安全信息
安全说明:S26-S36-S36/37
WGK Germany:3
危险类别码:R20/21/22
危险品运输编码:UN 2206 6.1/PG 3
海关编码:2929109000
危险类别:6.1
包装等级:III
危险品标志:Xn
WGK Germany:3
危险类别码:R20/21/22
危险品运输编码:UN 2206 6.1/PG 3
海关编码:2929109000
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
用途
用作合成医药或农药的中间体
用作合成医药或农药的中间体
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
