4'-Cyano[1,1'-biphenyl]-4-carboxylic acid
Properties
- Molecular formula
- C14H9NO2
- Molar mass
- 223.23 g/mol
- Exact mass
- 223.0633 Da
- logP
- 2.92Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
5728-46-1SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C(=O)OInChIKey
KBNUZLPQQMVGPR-UHFFFAOYSA-NInChI
InChI=1S/C14H9NO2/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8H,(H,16,17)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4'-Cyano-biphenyl-4-carboxylic acid
Work with 4'-Cyano[1,1'-biphenyl]-4-carboxylic acid
Similar compounds
4-Cyanobenzoic acid619-65-889 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-467 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-267 % similar
(1,1'-Biphenyl)-4-carboxylic acid92-92-263 % similar
[1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-260 % similar
4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-260 % similar
1,3,5-Tris(4-carboxyphenyl)benzene50446-44-160 % similar
4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.