2-Chlorobenzophenone

C₁₃H₉ClOCAS 5162-03-8216.66 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₉ClO
Molar mass: 216.66 g/mol
Exact mass: 216.0342 Da
Melting point: 52–56 °C
Boiling point: 185–188 °C (at 13 Torr)
logP: 3.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed27.3% of notifiers
H315 Causes skin irritation72.7% of notifiers
H319 Causes serious eye irritation72.7% of notifiers
H335 May cause respiratory irritation63.6% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5162-03-8

SMILES

O=C(c1ccccc1)c1ccccc1Cl

InChIKey

VMHYWKBKHMYRNF-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Methanone, (2-chlorophenyl)phenyl-
Benzophenone, 2-chloro-
(2-Chlorophenyl)phenylmethanone
o-Chlorobenzophenone
2-Chlorophenyl phenyl ketone
NSC 62529
2-Benzoylphenyl chloride
(2-Chlorophenyl)(phenyl)methanone
2-CBP

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4'-Dichlorobenzophenone85-29-076 % similar 2,5-Dichlorobenzophenone16611-67-971 % similar 2-Chloro-4'-fluorobenzophenone1806-23-171 % similar 2,4-Dichlorobenzophenone19811-05-371 % similar 1,2-Dibenzoylbenzene1159-86-068 % similar 3,4-Dichlorobenzophenone6284-79-361 % similar 2-Chloro-5-(trifluoromethyl)benzophenone789-96-861 % similar 2-Fluorobenzophenone342-24-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chlorobenzophenone1016-78-0 4-Chlorobenzophenone134-85-0 4'-Chlorobiphenyl-3-carbaldehyde139502-80-0 [1,1′-Biphenyl]-4-carbonyl chloride14002-51-8 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-2

Elsewhere

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