4-Cyanobenzoic acid
Properties
- Molecular formula
- C8H5NO2
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0320 Da
- Melting point
- 221 °C (decomposes)
- logP
- 1.26Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin89.4% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H332 Harmful if inhaled89.4% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 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
619-65-8SMILES
N#Cc1ccc(C(=O)O)cc1InChIKey
ADCUEPOHPCPMCE-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 4-cyano-
- Benzoic acid, p-cyano-
- p-Cyanobenzoic acid
- p-Carboxybenzonitrile
- 4-Carboxybenzonitrile
- NSC 6306
Work with 4-Cyanobenzoic acid
Similar compounds
4'-Cyano[1,1'-biphenyl]-4-carboxylic acid5728-46-189 % similar
Terephthalic acid100-21-063 % similar
4-Ethynylbenzoic acid10602-00-360 % similar
4,4',4''-(Benzene-1,3,5-triyltri(ethyne-2,1-diyl))tribenzoic acid205383-17-160 % similar
4-Cyanobenzamide3034-34-257 % similar
5-Cyanopyridine-2-carboxylic acid53234-55-256 % similar
6-Cyanonicotinic acid70165-31-056 % similar
Tetrakis(4-carboxyphenyl)ethylene1351279-73-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds