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化合物简介
Methylcholanthrene is a highly carcinogenic polycyclic aromatic hydrocarbon produced by burning organic compounds at very high temperatures[clarification needed]. Methylcholanthrene is also known as 3-methylcholanthrene, 20-methylcholanthrene or the IUPAC name 3-methyl-1,2-dyhydrobenzo[j]aceanthrylene. The short notation often used is 3-MC or MCA. This compound forms pale yellow solid crystals when crystallized from benzene and ether. It has a melting point around 180°C and its boiling point is around 280°C at a pressure of 80 mmHg. Methylcholanthrene is used in laboratory studies of chemical carcinogenesis. It is an alkylated derivative of benz[a]anthracene and has a similar UV spectrum. The most common isomer is 3-methylcholanthrene, although the methyl group can occur in other places.
基本信息
CAS:56-49-5
中文别名:
英文别名:3-Methylcholanthrene;3-methyl-1,2-dihydrobenzo[j]aceanthrylene;Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-;
分子式:C21H16
分子量:268.352
精确质量:268.125
Psa:0.0
Logp:5.5532
中文别名:
英文别名:3-Methylcholanthrene;3-methyl-1,2-dihydrobenzo[j]aceanthrylene;Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-;
分子式:C21H16
分子量:268.352
精确质量:268.125
Psa:0.0
Logp:5.5532
编号系统
MDL号:MFCD00003704
物化性质
外观与性状:黄色结晶固体
密度:1.223 g/cm3
沸点:280ºC 80 mm Hg(lit.)
熔点:178-180ºC
闪点:-5ºC
折射率:1.762
稳定性:Stable. Combustible. Incompatible with strong oxidizing agents.
储存条件:2-8ºC
密度:1.223 g/cm3
沸点:280ºC 80 mm Hg(lit.)
熔点:178-180ºC
闪点:-5ºC
折射率:1.762
稳定性:Stable. Combustible. Incompatible with strong oxidizing agents.
储存条件:2-8ºC
安全信息
危险类别码:R45
海关编码:2902909090
危险品运输编码:UN 2811
危险类别:6.1(b)
包装等级:III
海关编码:2902909090
危险品运输编码:UN 2811
危险类别:6.1(b)
包装等级:III
生产方法及用途
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图谱
13C NMR : Predict

1H NMR : Predict

1H NMR : 400 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

IR : KBr disc

IR : nujol mull
