4-(Pyridin-4-yl)benzoic acid
Properties
- Molecular formula
- C12H9NO2
- Molar mass
- 199.21 g/mol
- Exact mass
- 199.0633 Da
- Melting point
- above 330 °C (decomposes)
- logP
- 2.45Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation72.7% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H335 May cause respiratory irritation72.7% of notifiers
Aggregated from 11 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
4385-76-6SMILES
O=C(O)c1ccc(-c2ccncc2)cc1InChIKey
DZLGZIGLHCRIMF-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 4-(4-Pyridyl)benzoic acid
- Benzoic acid, 4-(4-pyridinyl)-
- Benzoic acid, p-4-pyridyl-
- 4-(4-Pyridinyl)benzoic acid
Work with 4-(Pyridin-4-yl)benzoic acid
Similar compounds
Isonicotinic acid55-22-176 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-475 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-275 % similar
[1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-267 % similar
4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-267 % similar
1,3,5-Tris(4-carboxyphenyl)benzene50446-44-167 % similar
4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-267 % similar
(1,1'-Biphenyl)-4-carboxylic acid92-92-264 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds