3-Chlorobenzophenone
Properties
- Molecular formula
- C13H9ClO
- Molar mass
- 216.66 g/mol
- Exact mass
- 216.0342 Da
- Melting point
- 228–230 °C
- Boiling point
- 83–83.5 °C
- logP
- 3.57Crippen 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 irritation97.4% of notifiers
Aggregated from 39 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
1016-78-0SMILES
O=C(c1ccccc1)c1cccc(Cl)c1InChIKey
CPLWKNRPZVNELG-UHFFFAOYSA-NInChI
InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Methanone, (3-chlorophenyl)phenyl-
- Benzophenone, 3-chloro-
- (3-Chlorophenyl)phenylmethanone
- m-Chlorobenzophenone
- NSC 5456
- 3-Chlorophenyl phenyl ketone
- (3-Chlorophenyl)(phenyl)methanone
Work with 3-Chlorobenzophenone
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
1,3-Dibenzoylbenzene3770-82-972 % similar
Benzophenone119-61-963 % similar
1,3,5-Tribenzoylbenzene25871-69-662 % similar
3,4-Dichlorobenzophenone6284-79-361 % similar
2,5-Dichlorobenzophenone16611-67-961 % similar
2,4-Dichlorobenzophenone19811-05-361 % similar
3-Bromobenzophenone1016-77-960 % similar
1,4-Dibenzoylbenzene3016-97-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds