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  • 庚酰氯

    Heptanoyl chloride

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

编号系统

PubChem号:24886805
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

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

生产方法及用途

用途
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


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