4-Ethyl-4′-cyanobiphenyl
Properties
- Molecular formula
- C15H13N
- Molar mass
- 207.28 g/mol
- Exact mass
- 207.1048 Da
- logP
- 3.79Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H317 May cause an allergic skin reaction33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H413 May cause long lasting harmful effects to aquatic life33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
58743-75-2SMILES
CCc1ccc(-c2ccc(C#N)cc2)cc1InChIKey
DLLIPJSMDJCZRF-UHFFFAOYSA-NInChI
InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- [1,1′-Biphenyl]-4-carbonitrile, 4′-ethyl-
- 4′-Ethyl[1,1′-biphenyl]-4-carbonitrile
- CB 2 (nematogen)
- 4-Cyano-4′-ethylbiphenyl
- CB 2
- 2CB
- 2-BB-C
- 4′-Ethylbiphenyl-4-carbonitrile
Work with 4-Ethyl-4′-cyanobiphenyl
Similar compounds
4-Ethylbenzonitrile25309-65-388 % similar
3CB58743-76-369 % similar
4′-Butyl-4-cyanobiphenyl52709-83-867 % similar
4-Cyano-4′-pentylbiphenyl40817-08-165 % similar
4′′-Pentyl-4-cyano-p-terphenyl54211-46-065 % similar
(1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-663 % similar
6CB41122-70-763 % similar
4′-Heptyl-4-cyanobiphenyl41122-71-863 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.