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化合物简介
Heptanoyl Chloride is used in the synthesis of novel class of 2-Aminopyrimidines as CDK1 and CDK2 inhibitors.
基本信息
CAS:2528-61-2
中文别名:庚酸氯;
英文别名:HEPTANOYL-2-CHLORIDE;enanthic acid chloride;Enanthyl Chloride;n-heptanoic acid chloride;ENANTHIC CHLORIDE;n-hetanoyl chloride;Heptanoyl chloride;ENANTHOYL CHLORIDE;oenanthic acid chloride;Heptanoyl Chloride;n-heptanoyl chloride;ENANTHYL CHLORIDE;OENANTHIC CHLORIDE;
分子式:C7H13ClO
分子量:148.631
精确质量:148.065
Psa:17.07
Logp:2.7222
中文别名:庚酸氯;
英文别名:HEPTANOYL-2-CHLORIDE;enanthic acid chloride;Enanthyl Chloride;n-heptanoic acid chloride;ENANTHIC CHLORIDE;n-hetanoyl chloride;Heptanoyl chloride;ENANTHOYL CHLORIDE;oenanthic acid chloride;Heptanoyl Chloride;n-heptanoyl chloride;ENANTHYL CHLORIDE;OENANTHIC CHLORIDE;
分子式:C7H13ClO
分子量:148.631
精确质量:148.065
Psa:17.07
Logp:2.7222
编号系统
PubChem号:24886805
EINECS号:219-775-3
BRN号:605636
MDL号:MFCD00000763
EINECS号:219-775-3
BRN号:605636
MDL号:MFCD00000763
物化性质
外观与性状:无色液体
密度:0.96g/mLat 25°C(lit.)
沸点:173°C(lit.)
熔点:-84 °C
闪点:137°F
折射率:n20/D 1.43(lit.)
水溶解性:REACTS
稳定性:Stable under normal temperatures and pressures.
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:1.21mmHg at 25°C
密度:0.96g/mLat 25°C(lit.)
沸点:173°C(lit.)
熔点:-84 °C
闪点:137°F
折射率:n20/D 1.43(lit.)
水溶解性:REACTS
稳定性:Stable under normal temperatures and pressures.
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:1.21mmHg at 25°C
安全信息
安全说明:S26-S36/37/39-S38-S45-S25
危险类别码:R26; R34; R37
WGK Germany:1
海关编码:2915900090
危险品运输编码:UN 2920 8/PG 2
危险类别:8
包装等级:II
危险品标志:C
危险性描述:H314; H330
危险性防范说明:P260; P280; P284; P305 + P351 + P338; P310
信号词:Danger
危险标志:GHS05, GHS06
危险类别码:R26; R34; R37
WGK Germany:1
海关编码:2915900090
危险品运输编码:UN 2920 8/PG 2
危险类别:8
包装等级:II
危险品标志:C
危险性描述:H314; H330
危险性防范说明:P260; P280; P284; P305 + P351 + P338; P310
信号词:Danger
危险标志:GHS05, GHS06
生产方法及用途
用途
用作液晶中间体。
用作液晶中间体。
合成路线
-
参考文献
Troyanskii, E. A.; Ioffe, V. A.; Mizintsev, V. V.; Nikishin, G. I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1984 , vol. 33, p. 1661 - 1667 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1984 , # 8 p. 1814 - 1822
上游原料
下游产品
图谱
Predict 1H proton NMR
13C NMR : Predict
1H NMR : Predict
13C NMR : in CDCl3
1H NMR : 90 MHz in CDCl3
Mass spectrum (electron ionization)
Mass
IR : liquid film










