2-Cyano-4'-methylbiphenyl

C14H11NCAS 114772-53-1193.25 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C14H11N
Molar mass
193.25 g/mol
Exact mass
193.0891 Da
Melting point
47–48 °C
logP
3.53Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 80 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
114772-53-1
SMILES
Cc1ccc(-c2ccccc2C#N)cc1
InChIKey
ZGQVZLSNEBEHFN-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Cyano-4′-methylbiphenyl
  • [1,1′-Biphenyl]-2-carbonitrile, 4′-methyl-
  • 4′-Methyl[1,1′-biphenyl]-2-carbonitrile
  • 4′-Methylbiphenyl-2-carbonitrile
  • 4-Methyl-2′-cyanobiphenyl
  • 4′-Methyl-2-cyanobiphenyl
  • 2′-Cyano-4-methylbiphenyl
  • 2-Cyano-4′-methyl-1,1′-biphenyl
  • 2-(4-Methylphenyl)benzonitrile
  • 2-(p-Tolyl)benzonitrile
  • 4′-Methyl-1,1′-biphenyl-2-ylcarbonitrile

Work with 2-Cyano-4'-methylbiphenyl

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

2-Cyanobiphenyl24973-49-767 % similar 4'-(Bromomethyl)-2-cyanobiphenyl114772-54-256 % similar 4-Methylphthalonitrile63089-50-948 % similar 4-Methylbenzonitrile104-85-848 % similar 2,5-Dimethylbenzonitrile13730-09-147 % similar 2-Methylbenzonitrile529-19-147 % similar 4-Methylbiphenyl644-08-646 % similar Phthalonitrile91-15-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Vinylcarbazole1484-13-5 2-Biphenylacetonitrile19853-10-2 Polyvinylcarbazole25067-59-8 Dibenz(b,f)azepine256-96-2 4-Biphenylacetonitrile31603-77-7 4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-3 Anthramine610-49-1 9-Methylacridine611-64-3

Elsewhere

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