CAS 1518-16-7|tetracyanoquinodimethane|2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile|-dimalononitrile, 7,7,8,8-Tetracyanoquinodimethane|(2,5-Cyclohexadiene-1,4-diylidene)|Te...

基本信息

化学结构

分子式

C₁₂H₄N₄

分子量

204.18696

精确质量

204.04359615

电荷

InChI

InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H

InChIKey

PCCVSPMFGIFTHU-UHFFFAOYSA-N

Canonic Smiles

N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N

Isomeric Smiles

N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N

计算属性

JChem

LogD (pH = 7.4)

0.75

LogD (pH = 5.5)

0.75

Log P

0.75

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

极化表面积

95.16

极化性

19.97

摩尔折射率

61.19

LOG S

-2.72

数据来源

名称和标识

别名

Tetracyanoquinodimethane-dimalononitrile, 7,7,8,8-Tetracyanoquinodimethane(2,5-Cyclohexadiene-1,4-diylidene)(2,5-Cyclohexadiene-1,4-diylidene)-dimalononitrile7,7,8,8-TetracyanoquinodimethaneTCNQ2,2'-(Cyclohexa-2,5-diene-1,4-diylidene)dipropane-1,3-dinitrile7,7,8,8-四氰基对苯二醌二甲烷2,2'-(2,5-环己二烯-1,4-二基)丙二腈7,7,8,8-四氰基对醌二甲烷tetracyanoquinodimethane2,5-Cyclohexadiene-delta(sup1alpha:4alpha)dimalononitrile7,7,8,8-Tetracyano-1,4-quinodimethan2,5-Cyclohexadiene-1,4-diylidene-alpha,alpha'-dimalononitrile7,7,8,8-Tetracyanoquinodimethane7,7,8,8-Tetracyano-p-quinodimethaneTetracyano-p-quinodimethane2,5-Cyclohexadiene-delta1,alpha:4,alpha'-dimalononitrileTCNQ7,7',8,8'-Tetracyanoquinodimethane2,5-Cyclohexadiene-1,4-diylidenedimalononitrile

IUPAC传统名

tetracyanoquinodimethane

IUPAC标准名

2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile

名称和标识

数据登录号

维基百科标题

Tetracyanoquinodimethanetetracyanoquinodimethane

PubChem CID

73697

CHEBI ID

52445CHEBI:52445