2-Cyanobiphenyl

C₁₃H₉NCAS 24973-49-7179.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉N
Molar mass: 179.22 g/mol
Exact mass: 179.0735 Da
logP: 3.23Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H400 Very toxic to aquatic life95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

24973-49-7

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C#N

InChIKey

WLPATYNQCGVFFH-UHFFFAOYSA-N

InChI

InChI=1S/C13H9N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H

Weigh it out

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

Names and synonyms

1 names

(1,1'-Biphenyl)-2-carbonitrile

Work with 2-Cyanobiphenyl

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-Cyano-4'-methylbiphenyl114772-53-167 % similar 4'-(Bromomethyl)-2-cyanobiphenyl114772-54-260 % similar Phthalonitrile91-15-657 % similar O-Terphenyl84-15-152 % similar 2-Bromobenzonitrile2042-37-746 % similar 2-Aminobenzonitrile1885-29-644 % similar 2-Fluorobenzonitrile394-47-844 % similar 2-Iodobenzonitrile4387-36-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenanthridine229-87-8 Benzo[h]quinoline230-27-3 Acridine260-94-6 (1,1'-Biphenyl)-4-carbonitrile2920-38-9 Benzo[f]quinoline85-02-9

Elsewhere

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