Benzylidenemalononitrile

C10H6N2CAS 2700-22-3154.17 g/mol

Open in Covalent MOL file
NN
AlkeneNitrile

Properties

Molecular formula
C10H6N2
Molar mass
154.17 g/mol
Exact mass
154.0531 Da
Melting point
83–85 °C
Boiling point
120–128 °C (at 0.06 Torr)
logP
2.12Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2700-22-3
SMILES
N#CC(C#N)=Cc1ccccc1
InChIKey
WAVNYPVYNSIHNC-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-6H

Weigh it out

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

Names and synonyms

24 names · show all
  • Propanedinitrile, 2-(phenylmethylene)-
  • Malononitrile, benzylidene-
  • Propanedinitrile, (phenylmethylene)-
  • 2-(Phenylmethylene)propanedinitrile
  • 2-Phenyl-1,1-dicyanoethylene
  • α-Cyanocinnamonitrile
  • Benzalmalononitrile
  • 2,2-Dicyano-1-phenylethylene
  • Benzylidenemalonodinitrile
  • β,β-Dicyanostyrene
  • 1,1-Dicyano-2-phenylethene
  • 1,1-Dicyano-2-phenylethylene
  • 2-Cyano-3-phenylacrylonitrile
  • 2-Phenyl-1,1-dicyanoethene
  • 2-Cyano-3-phenylpropenenitrile
  • 2-Benzylidenemalononitrile
  • (Phenylmethylene)propanedinitrile
  • (Phenylmethylene)malononitrile
  • 1-Cyanocinnamonitrile
  • NSC 490
  • 2-(Phenylmethylene)malononitrile
  • Benzylidenepropanedinitrile
  • 2-Benzylidenepropanedinitrile
  • 2-(Phenylmethylidene)propanedinitrile

Work with Benzylidenemalononitrile

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-Hydroxybenzylidenemalononitrile3785-90-863 % similar α-Cyanostilbene2510-95-459 % similar Tyrphostin 23118409-57-752 % similar α-Cyanocinnamic acid1011-92-350 % similar N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide26088-79-950 % similar Cs gas2698-41-150 % similar Triphenylethylene58-72-046 % similar (2-Methyl-1-propen-1-yl)benzene768-49-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Isoquinolinecarbonitrile1198-30-7 2-Quinolinecarbonitrile1436-43-7 3-Isoquinolinecarbonitrile26947-41-1 3-Quinolinecarbonitrile34846-64-5

Elsewhere

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