6CB

C₁₉H₂₁NCAS 41122-70-7263.38 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₁₉H₂₁N
Molar mass: 263.38 g/mol
Exact mass: 263.1674 Da
Melting point: 13.5 °C
Boiling point: 183–185 °C (at 2 Torr)
Flash point: 104.4 °C
Water solubility: < 1 g/L (20 °C)
logP: 5.35Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation95% of notifiers

Aggregated from 40 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

41122-70-7

SMILES

CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1

InChIKey

VADSDVGLFDVIMG-UHFFFAOYSA-N

InChI

InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all

[1,1′-Biphenyl]-4-carbonitrile, 4′-hexyl-
4′-Hexyl[1,1′-biphenyl]-4-carbonitrile
4′-Hexyl-4-biphenylcarbonitrile
4-Cyano-4′-hexylbiphenyl
4-Hexyl-4′-cyanobiphenyl
4-Cyano-4′-n-hexylbiphenyl
4′-Hexyl-4-cyanobiphenyl
p-Hexyl-p′-cyanobiphenyl
4-Hexyl-4′-cyanodiphenyl
CB 6 (liquid crystal)
CB 6
K 18 (Liquid crystal)
K 18
4′-n-Hexyl-4-cyanobiphenyl
4-n-Hexyl-4′-cyanobiphenyl
4-Cyano-4′-hexyl-1,1′-biphenyl
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-

Work with 6CB

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′-Heptyl-4-cyanobiphenyl41122-71-8100 % similar 4'-Octyl-4-cyanobiphenyl52709-84-9100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook