4′-Methyl[1,1′-biphenyl]-4-carbonitrile

C₁₄H₁₁NCAS 50670-50-3193.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₁N
Molar mass: 193.25 g/mol
Exact mass: 193.0891 Da
Melting point: 110–112 °C
logP: 3.53Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the 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, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

50670-50-3

SMILES

Cc1ccc(-c2ccc(C#N)cc2)cc1

InChIKey

QIBWMVSMTSYUSK-UHFFFAOYSA-N

InChI

InChI=1S/C14H11N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,1H3

Weigh it out

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

Names and synonyms

13 names · show all

(1,1'-Biphenyl)-4-carbonitrile, 4'-methyl-
[1,1′-Biphenyl]-4-carbonitrile, 4′-methyl-
4-Cyano-4′-methylbiphenyl
CB 1 (liquid crystal)
CB 1
4′-Cyano-4-methylbiphenyl
4-Methyl-4′-cyanobiphenyl
4-(4-Methylphenyl)benzonitrile
4-(p-Tolyl)benzonitrile
4-(4-Tolyl)benzonitrile
4′-Methylbiphenyl-4-carbonitrile
4-Cyano-4′-methyl-1,1′-biphenyl
4′-Methyl-1,1′-biphenyl-4-ylcarbonitrile

Work with 4′-Methyl[1,1′-biphenyl]-4-carbonitrile

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-Methylbenzonitrile104-85-886 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-671 % similar (1,1'-Biphenyl)-4-carbonitrile2920-38-963 % similar Di-p-tolyl613-33-257 % similar 1,4-Dicyanobenzene623-26-757 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-256 % similar 4-Amino-4'-cyanobiphenyl4854-84-656 % similar 4-Ethyl-4′-cyanobiphenyl58743-75-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Cyano-4'-methylbiphenyl114772-53-1 N-Vinylcarbazole1484-13-5 2-Biphenylacetonitrile19853-10-2 Polyvinylcarbazole25067-59-8 Dibenz(b,f)azepine256-96-2 4-Biphenylacetonitrile31603-77-7 Anthramine610-49-1 9-Methylacridine611-64-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook