3-Cyanobenzoic acid
Properties
- Molecular formula
- C8H5NO2
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0320 Da
- Melting point
- 219 °C
- logP
- 1.26Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.7% of notifiers
Aggregated from 75 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1877-72-1SMILES
N#Cc1cccc(C(=O)O)c1InChIKey
GYLKKXHEIIFTJH-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)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
5 names
- Benzoic acid, 3-cyano-
- Benzoic acid, m-cyano-
- m-Cyanobenzoic acid
- m-Carboxybenzonitrile
- 3-Carboxybenzonitrile
Work with 3-Cyanobenzoic acid
Similar compounds
Isophthalic acid121-91-562 % similar
3-Cyanobenzoyl chloride1711-11-160 % similar
3-Acetylbenzonitrile6136-68-160 % similar
3-Hydroxybenzoic acid99-06-958 % similar
4'-Cyano[1,1'-biphenyl]-4-carboxylic acid5728-46-157 % similar
[1,1′-Biphenyl]-3-carboxylic acid716-76-756 % similar
2-Chloro-4-cyanobenzoic acid117738-77-955 % similar
Methyl m-cyanobenzoate13531-48-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds