(1,1'-Biphenyl)-4,4'-dicarbonitrile

C14H8N2CAS 1591-30-6204.23 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C14H8N2
Molar mass
204.23 g/mol
Exact mass
204.0687 Da
Melting point
232–234 °C
logP
3.10Crippen 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
1591-30-6
SMILES
N#Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
KAXYYLCSSXFXKR-UHFFFAOYSA-N
InChI
InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H

Weigh it out

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Names and synonyms

6 names
  • [1,1′-Biphenyl]-4,4′-dicarbonitrile
  • 4,4′-Biphenyldicarbonitrile
  • 4,4′-Dicyanobiphenyl
  • 4,4′-Dicyanodiphenyl
  • NSC 87879
  • 4,4′-Dicyano-1,1′-biphenyl

Work with (1,1'-Biphenyl)-4,4'-dicarbonitrile

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

(1,1'-Biphenyl)-4-carbonitrile2920-38-983 % similar 1,4-Dicyanobenzene623-26-780 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-271 % similar 4-Amino-4'-cyanobiphenyl4854-84-671 % similar 4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-371 % similar 4-Ethyl-4′-cyanobiphenyl58743-75-263 % similar Benzonitrile100-47-061 % similar 3CB58743-76-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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