4-Benzoylpyridine
Properties
- Molecular formula
- C12H9NO
- Molar mass
- 183.21 g/mol
- Exact mass
- 183.0684 Da
- Melting point
- 72 °C
- Boiling point
- 315 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 30.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
14548-46-0SMILES
O=C(c1ccccc1)c1ccncc1InChIKey
SKFLCXNDKRUHTA-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- NSC 9488
- Methanone, phenyl-4-pyridinyl-
- Ketone, phenyl 4-pyridyl
- Phenyl-4-pyridinylmethanone
- 4-Pyridyl phenyl ketone
- Ba 33215
- Phenyl 4-pyridyl ketone
- γ-Benzoylpyridine
- Phenyl(4-pyridinyl)methanone
Work with 4-Benzoylpyridine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Benzophenone119-61-971 % similar
1,4-Dibenzoylbenzene3016-97-568 % similar
Phenyl-3-pyridinylmethanone5424-19-167 % similar
1,3,5-Tribenzoylbenzene25871-69-663 % similar
4-(4'-Chlorobenzoyl)pyridine14548-48-261 % similar
1,3-Dibenzoylbenzene3770-82-960 % similar
4-Phenylbenzophenone2128-93-058 % similar
1,2-Dibenzoylbenzene1159-86-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.