chempirical

Benzophenone 7

C13H9ClO2CAS 85-19-8232.66 g/mol

Open in Covalent MOL file
OClOH
Aryl halideKetonePhenol

Properties

Molecular formula
C13H9ClO2
Molar mass
232.66 g/mol
Exact mass
232.0291 Da
Melting point
93–95 °C
Boiling point
147–149 °C (at 0.3 Torr)
Water solubility
insoluble
logP
3.28Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
85-19-8
SMILES
O=C(c1ccccc1)c1cc(Cl)ccc1O
InChIKey
OMWSZDODENFLSV-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H

Weigh it out

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

Names and synonyms

13 names · show all
  • Methanone, (5-chloro-2-hydroxyphenyl)phenyl-
  • Benzophenone, 5-chloro-2-hydroxy-
  • (5-Chloro-2-hydroxyphenyl)phenylmethanone
  • 2-Hydroxy-5-chlorobenzophenone
  • 3-Chloro-6-hydroxybenzophenone
  • 5-Chloro-2-hydroxybenzophenone
  • DOW HCB
  • UV Absorber NL/5
  • 2-Benzoyl-4-chlorophenol
  • Ch 11
  • NSC 33407
  • (2-Hydroxy-5-chlorophenyl)phenylmethanone
  • Chlorohydroxy benzophenone

Work with Benzophenone 7

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

2,5-Dichlorobenzophenone16611-67-967 % similar 4,6-Dibenzoylresorcinol3088-15-165 % similar 2-Hydroxy-5-methylbenzophenone1470-57-163 % similar 5-Bromo-2-hydroxybenzophenone55082-33-263 % similar 2-Amino-5-chlorobenzophenone719-59-563 % similar 4'-Chloro-5-fluoro-2-hydroxybenzophenone62433-26-563 % similar 2,4-Dichlorobenzophenone19811-05-362 % similar 2-Hydroxybenzophenone117-99-762 % 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-4′-hydroxybenzophenone42019-78-3 4'-Chloro-biphenyl-3-carboxylic acid4655-10-1 3'-Chloro-biphenyl-4-carboxylic acid5728-43-8 4'-Chloro-biphenyl-4-carboxylic acid5748-41-4

Elsewhere

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