Tetracyanoethylene
Properties
- Molecular formula
- C6N4
- Molar mass
- 128.09 g/mol
- Exact mass
- 128.0123 Da
- Density
- 1.31 g/mL
- Melting point
- 199 °C
- Boiling point
- 223 °C
- logP
- 0.38Crippen estimate
- Polar surface area
- 95.2 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed100% of notifiers
- H310 Fatal in contact with skin10.9% of notifiers
- H312 Harmful in contact with skin84.8% of notifiers
- H315 Causes skin irritation15.2% of notifiers
- H319 Causes serious eye irritation15.2% of notifiers
- H332 Harmful if inhaled84.8% of notifiers
- H335 May cause respiratory irritation13% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
670-54-2SMILES
N#CC(C#N)=C(C#N)C#NInChIKey
NLDYACGHTUPAQU-UHFFFAOYSA-NInChI
InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 1,1,2,2-Tetracyanoethene
- 1,1,2,2-Tetracyanoethylene
- NSC 24833
- 1,1,2,2-Ethenetetracarbonitrile
- Ethenetetracarbonitrile
- δ2,2′-Bimalononitrile
- TCNE
- Ethene, tetracyano-
- Ethylenetetracarbonitrile
- Tetracyanoethene
Reactions
Work with Tetracyanoethylene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Isopropylidenemalononitrile13166-10-453 % similar
Tetracyanoquinodimethane1518-16-753 % similar
2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane29261-33-447 % similar
2-[Di(methylthio)methylidene]malononitrile5147-80-844 % similar
2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-544 % similar
Mesoxalonitrile1115-12-440 % similar
Diaminomaleonitrile1187-42-440 % similar
2-Amino-1-propene-1,1,3-tricarbonitrile868-54-240 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds