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化合物简介
4-Fluoro-2-chlorobenzonitrile is used in the synthesis of androgen receptor antagonists in the treatment of prostate cancer. Also used in the synthesis of pyrazole derivatives as novel androgen receptor antagonists.
基本信息
CAS:60702-69-4
中文别名:4-氟-2-氯苯甲腈;2-氯-4-氟苯甲腈;
英文别名:2-chloro-4-fluorobenzenecarbonitrile;4-fluoro-2-(chloro)-benzonitrile;2-chloro-4-fluoro benzonitrile;ncr bg df;Benzonitrile,2-chloro-4-fluoro;
分子式:C7H3ClFN
分子量:155.557
精确质量:154.994
Psa:23.79
Logp:2.35078
中文别名:4-氟-2-氯苯甲腈;2-氯-4-氟苯甲腈;
英文别名:2-chloro-4-fluorobenzenecarbonitrile;4-fluoro-2-(chloro)-benzonitrile;2-chloro-4-fluoro benzonitrile;ncr bg df;Benzonitrile,2-chloro-4-fluoro;
分子式:C7H3ClFN
分子量:155.557
精确质量:154.994
Psa:23.79
Logp:2.35078
编号系统
MDL号:MFCD00042523
物化性质
外观与性状:白色闪亮的晶体
密度:1.33g/cm3
沸点:237ºC
熔点:64-66°C(lit.)
闪点:95ºC
折射率:1.536
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
密度:1.33g/cm3
沸点:237ºC
熔点:64-66°C(lit.)
闪点:95ºC
折射率:1.536
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
安全信息
安全说明:S26-S36-S36/37/39
危险类别码:R20/21/22; R36/37/38
WGK Germany:3
海关编码:2926909090
危险品运输编码:3439
危险类别:6.1
包装等级:III
危险品标志:Xn
危险标志:GHS07
信号词:Warning
危险性防范说明:P261; P280; P305 + P351 + P338
危险性描述:H302; H312; H315; H319; H332; H335
危险类别码:R20/21/22; R36/37/38
WGK Germany:3
海关编码:2926909090
危险品运输编码:3439
危险类别:6.1
包装等级:III
危险品标志:Xn
危险标志:GHS07
信号词:Warning
危险性防范说明:P261; P280; P305 + P351 + P338
危险性描述:H302; H312; H315; H319; H332; H335
生产方法及用途
用途
医药、农药、液晶材料中间体。
医药、农药、液晶材料中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
