Tetracyanoquinodimethane

C₁₂H₄N₄CAS 1518-16-7204.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₄N₄
Molar mass: 204.19 g/mol
Exact mass: 204.0436 Da
Density: 1.34 g/mL
Melting point: 293.5–296 °C
logP: 0.08Crippen estimate
Polar surface area: 95.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled87% of notifiers
H301 Toxic if swallowed89.1% of notifiers
H302 Harmful if swallowed10.9% of notifiers
H311 Toxic in contact with skin89.1% of notifiers
H331 Toxic if inhaled89.1% of notifiers
H332 Harmful if inhaled10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

1518-16-7

SMILES

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

InChIKey

PCCVSPMFGIFTHU-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all

Propanedinitrile, 2,2′-(2,5-cyclohexadiene-1,4-diylidene)bis-
2,5-Cyclohexadiene-δ1,α:4,α′-dimalononitrile
2,2′-(2,5-Cyclohexadiene-1,4-diylidene)bis[propanedinitrile]
(2,5-Cyclohexadiene-1,4-diylidene)dimalononitrile
Quinodimethane, tetracyano-
TCNQ
7,7,8,8-Tetracyanoquinodimethane
Tetracyano-p-quinodimethane
7,7′,8,8′-Tetracyanoquinodimethane
7,7,8,8-Tetracyano-p-quinodimethane
7,7,8,8-Tetracyano-1,4-quinodimethan
NSC 105237
1,4-Bis(dicyanomethylene)cyclohexadiene
2,2′-(Cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile
2-[4-(Dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile

Work with Tetracyanoquinodimethane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-644 % similar Isopropylidenemalononitrile13166-10-440 % similar [(Dimethylamino)methylene]propanedinitrile16849-88-033 % similar 2-Amino-1-propene-1,1,3-tricarbonitrile868-54-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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