化学科研者一站式服务平台
化合物简介
5-Chloroindole-2-carboxylic Acid is used in the synthesis of 4-(3-aminomethylphenyl)piperidine-1-carboxamides as potent, selective, and orally bioavailable inhibitors of βII tryptase. It is also a reagent used to prepare indole amides with possible antihistaminic activities.
基本信息
CAS:10517-21-2
中文别名:5-氯吲哚-2-甲酸;
英文别名:5-chloro-1H-indole-2-carboxylic acid;5-Chloro-1H-indole-2-carboxylic acid;5-Chloroindole-2-Carboxylic Acid;
分子式:C9H6ClNO2
分子量:195.602
精确质量:195.009
Psa:53.09
Logp:2.5195
中文别名:5-氯吲哚-2-甲酸;
英文别名:5-chloro-1H-indole-2-carboxylic acid;5-Chloro-1H-indole-2-carboxylic acid;5-Chloroindole-2-Carboxylic Acid;
分子式:C9H6ClNO2
分子量:195.602
精确质量:195.009
Psa:53.09
Logp:2.5195
编号系统
BRN号:153229
EINECS号:234-050-1
PubChem号:24892724
MDL号:MFCD00005613
RTECS号:NL5998400
EINECS号:234-050-1
PubChem号:24892724
MDL号:MFCD00005613
RTECS号:NL5998400
物化性质
外观与性状:近乎于白色粉末
密度:1.548 g/cm3
沸点:449.7ºC at 760 mmHg
熔点:287°C (dec.)(lit.)
闪点:225.8ºC
稳定性:Stable under normal temperatures and pressures.
储存条件:0-6ºC
蒸汽压:7.12E-09mmHg at 25°C
密度:1.548 g/cm3
沸点:449.7ºC at 760 mmHg
熔点:287°C (dec.)(lit.)
闪点:225.8ºC
稳定性:Stable under normal temperatures and pressures.
储存条件:0-6ºC
蒸汽压:7.12E-09mmHg at 25°C
安全信息
RTECS号:NL5998400
安全说明:S26-S36-S37/39
WGK Germany:3
危险类别码:R22; R36/37/38
海关编码:29339990
危险品标志:Xn
危险性描述:H302; H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
信号词:Warning
危险标志:GHS07
安全说明:S26-S36-S37/39
WGK Germany:3
危险类别码:R22; R36/37/38
海关编码:29339990
危险品标志:Xn
危险性描述:H302; H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
信号词:Warning
危险标志:GHS07
生产方法及用途
合成路线
-
参考文献
Zhang, Fan; Zhao, Yanfang; Sun, Li; Ding, Lu; Gu, Yucheng; Gong, Ping European Journal of Medicinal Chemistry, 2011 , vol. 46, # 7 p. 3149 - 3157
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
