4-Chloro-4′-hydroxybenzophenone

C₁₃H₉ClO₂CAS 42019-78-3232.66 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₁₃H₉ClO₂
Molar mass: 232.66 g/mol
Exact mass: 232.0291 Da
Melting point: 179 °C
logP: 3.28Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation93% of notifiers
H319 Causes serious eye irritation93% of notifiers
H335 May cause respiratory irritation91.2% of notifiers

Aggregated from 57 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

42019-78-3

SMILES

O=C(c1ccc(O)cc1)c1ccc(Cl)cc1

InChIKey

RUETVLNXAGWCDS-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H

Weigh it out

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

Names and synonyms

9 names

4-(4-Chlorobenzoyl)phenol
Methanone, (4-chlorophenyl)(4-hydroxyphenyl)-
Benzophenone, 4-chloro-4′-hydroxy-
(4-Chlorophenyl)(4-hydroxyphenyl)methanone
4-Hydroxy-4′-chlorobenzophenone
4-p-Chlorobenzoylphenol
1-(4-Chlorophenyl)-1-(4-hydroxyphenyl)methanone
4′-Chloro-4-hydroxybenzophenone
4-Hydroxy-4'-chlorobenzophenone

Work with 4-Chloro-4′-hydroxybenzophenone

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

4,4′-Dihydroxybenzophenone611-99-475 % similar 4,4′-Dichlorobenzophenone90-98-275 % similar 4-Bromo-4'-chlorobenzophenone27428-57-566 % similar 4-Hydroxybenzophenone1137-42-464 % similar 4-Chlorobenzophenone134-85-064 % similar 4-Chlorophenol106-48-963 % similar 4-(4'-Chlorobenzoyl)pyridine14548-48-260 % similar 4-Fluoro-4'-hydroxybenzophenone25913-05-760 % similar

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

Same formula

2'-Chloro-biphenyl-3-carboxylic acid168619-03-2 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-5 p-Chlorophenyl benzoate2005-08-5 2'-Chloro-biphenyl-4-carboxylic acid3808-93-3 4'-Chloro-biphenyl-3-carboxylic acid4655-10-1 3'-Chloro-biphenyl-4-carboxylic acid5728-43-8 4'-Chloro-biphenyl-4-carboxylic acid5748-41-4 4-(4-Chlorophenoxy)benzaldehyde61343-99-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook