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化合物简介
Isoindoline is a heterocyclic organic compound with the molecular formula C8H9N. The parent compound has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing ring. The compound's structure is similar to indoline except that the nitrogen atom is in the 2 position instead of the 1 position of the five-membered ring. Isoindoline itself is not commonly encountered, but several derivatives are found in nature and some synthetic derivatives are commercially valuable drugs, e.g. pazinaclone.
基本信息
CAS:496-12-8
中文别名:2,3-二氢-1H-异吲哚;2,3-二氢异吲哚;
英文别名:1,3-dihydro-isoindol;1H-Isoindole,2,3-dihydro;2,3-dihydroisoindole;Isoindoline;2,3-DIHYDRO-1H-ISOINDOLE;DIHYDROISOINDOLE;1,3-Dihydroisoindole;1,2-dihydroisoindole;o-Xyleneimine;1,3-Dihydro-2H-isoindole;
分子式:C8H9N
分子量:119.164
精确质量:119.073
Psa:12.03
Logp:1.6186
中文别名:2,3-二氢-1H-异吲哚;2,3-二氢异吲哚;
英文别名:1,3-dihydro-isoindol;1H-Isoindole,2,3-dihydro;2,3-dihydroisoindole;Isoindoline;2,3-DIHYDRO-1H-ISOINDOLE;DIHYDROISOINDOLE;1,3-Dihydroisoindole;1,2-dihydroisoindole;o-Xyleneimine;1,3-Dihydro-2H-isoindole;
分子式:C8H9N
分子量:119.164
精确质量:119.073
Psa:12.03
Logp:1.6186
编号系统
MDL号:MFCD00605324
物化性质
外观与性状:无色至橙色至棕色液体
密度:1.05
沸点:221ºC
熔点:17ºC
闪点:94ºC
折射率:1.57
蒸汽压:0.338mmHg at 25°C
密度:1.05
沸点:221ºC
熔点:17ºC
闪点:94ºC
折射率:1.57
蒸汽压:0.338mmHg at 25°C
安全信息
安全说明:S26-S36
危险类别码:R36/37/38
WGK Germany:3
危险品标志:Xi
危险性防范说明:P261; P305 + P351 + P338
信号词:Warning
危险标志:GHS07
危险性描述:H315; H319; H335
危险类别码:R36/37/38
WGK Germany:3
危险品标志:Xi
危险性防范说明:P261; P305 + P351 + P338
信号词:Warning
危险标志:GHS07
危险性描述:H315; H319; H335
生产方法及用途
合成路线
上游原料
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图谱
13C NMR : Predict

1H NMR : Predict
