4'-Octyl-4-cyanobiphenyl

C₂₁H₂₅NCAS 52709-84-9291.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₅N
Molar mass: 291.44 g/mol
Exact mass: 291.1987 Da
Boiling point: 215–218 °C (at 2 Torr)
logP: 6.13Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8

Hazards

Warning

H312 Harmful in contact with skin88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled88.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

52709-84-9

SMILES

CCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1

InChIKey

CSQPODPWWMOTIY-UHFFFAOYSA-N

InChI

InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3

Weigh it out

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

Names and synonyms

23 names · show all

8Cb
[1,1′-Biphenyl]-4-carbonitrile, 4′-octyl-
4′-Octyl[1,1′-biphenyl]-4-carbonitrile
4-Cyano-4′-octyl-1,1′-biphenyl
4-Cyano-4′-octylbiphenyl
p-Cyano-p′-octylbiphenyl
4′-n-Octyl-4-cyanobiphenyl
4′-Octyl-4-biphenylcarbonitrile
4-Octyl-4′-cyanobiphenyl
4-Cyano-4′-n-octylbiphenyl
4′-Octyl-4-cyanobiphenyl
4-n-Octyl-4′-cyanobiphenyl
p-Octyl-p′-cyanobiphenyl
CB 8 (liquid crystal)
K 24 (Liquid crystal)
K 24
80BF
p-n-Octyl-p′-cyanobiphenyl
OCBP
8TsB
CB 8
FR 2221
8CB (liq. crystal)

Work with 4'-Octyl-4-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

6CB41122-70-7100 % similar 4′-Heptyl-4-cyanobiphenyl41122-71-8100 % similar 4-Cyano-4′-pentylbiphenyl40817-08-196 % similar 4′′-Pentyl-4-cyano-p-terphenyl54211-46-096 % similar 4′-Butyl-4-cyanobiphenyl52709-83-886 % similar 3CB58743-76-377 % similar 4-Butylbenzonitrile20651-73-476 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-765 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Terbinafine91161-71-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook