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化合物简介
Tropone or 2,4,6-cycloheptatrien-1-one is an organic compound with some importance in organic chemistry as a non-benzenoid aromatic. The compound consists of a ring of seven carbon atoms with three conjugated alkene groups and a ketone group. The related compound tropolone (2-hydroxy-2,4,6-cycloheptatrien-1-one) has an additional alcohol (or an enol including the double bond) group next to the ketone.
基本信息
CAS:539-80-0
中文别名:2,4,6-环庚三烯-1-酮;
英文别名:2,4,6-CYCLOHEPTATRIEN-1-ONE;Tropone;2,4,6-cycloheptatrienone;cyclohepta-2,4,6-trienone;2,4,6-Cycloheptatrien-1-one;2,4,6-cycloheptatrieneone;cycloheptatrienone;1-cyclohepta-2,4,6-trienone;N-phenyl-2-azulenylmethylene;EINECS 208-725-6;
分子式:C7H6O
分子量:106.122
精确质量:106.042
Psa:17.07
Logp:1.0468
中文别名:2,4,6-环庚三烯-1-酮;
英文别名:2,4,6-CYCLOHEPTATRIEN-1-ONE;Tropone;2,4,6-cycloheptatrienone;cyclohepta-2,4,6-trienone;2,4,6-Cycloheptatrien-1-one;2,4,6-cycloheptatrieneone;cycloheptatrienone;1-cyclohepta-2,4,6-trienone;N-phenyl-2-azulenylmethylene;EINECS 208-725-6;
分子式:C7H6O
分子量:106.122
精确质量:106.042
Psa:17.07
Logp:1.0468
编号系统
MDL号:MFCD00014331
EINECS号:208-725-6
EINECS号:208-725-6
物化性质
密度:1.094
沸点:113ºC (15 torr)
熔点:-7ºC
闪点:85.6ºC
折射率:n20/D 1.615(lit.)
储存条件:-20ºC
沸点:113ºC (15 torr)
熔点:-7ºC
闪点:85.6ºC
折射率:n20/D 1.615(lit.)
储存条件:-20ºC
安全信息
安全说明:S24/25
海关编码:2914299000
海关编码:2914299000
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)

UV/Visible spectrum

ESR : ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF AT RT
