3,4-Dimethylbenzophenone
Properties
- Molecular formula
- C15H14O
- Molar mass
- 210.28 g/mol
- Exact mass
- 210.1045 Da
- Melting point
- 47.5 °C
- Boiling point
- 341 °C
- logP
- 3.53Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 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
2571-39-3SMILES
Cc1ccc(C(=O)c2ccccc2)cc1CInChIKey
JENOLWCGNVWTJN-UHFFFAOYSA-NInChI
InChI=1S/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Methanone, (3,4-dimethylphenyl)phenyl-
- Benzophenone, 3,4-dimethyl-
- (3,4-Dimethylphenyl)phenylmethanone
- NSC 10172
Work with 3,4-Dimethylbenzophenone
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
1,4-Dibenzoylbenzene3016-97-562 % similar
3-Methylbenzophenone643-65-261 % similar
1,3-Dibenzoylbenzene3770-82-961 % similar
4-Methylbenzophenone134-84-960 % similar
Benzophenone119-61-958 % similar
1,3,5-Tribenzoylbenzene25871-69-657 % similar
2,5-Dimethylbenzophenone4044-60-457 % similar
2-Methylbenzophenone131-58-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.