2,5-Dichlorobenzophenone

C₁₃H₈Cl₂OCAS 16611-67-9251.11 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₈Cl₂O
Molar mass: 251.11 g/mol
Exact mass: 249.9952 Da
Melting point: 88 °C
Boiling point: 240–260 °C
logP: 4.22Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16611-67-9

SMILES

O=C(c1ccccc1)c1cc(Cl)ccc1Cl

InChIKey

FAVKIHMGRWRACA-UHFFFAOYSA-N

InChI

InChI=1S/C13H8Cl2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

4 names

Methanone, (2,5-dichlorophenyl)phenyl-
Benzophenone, 2,5-dichloro-
(2,5-Dichlorophenyl)phenylmethanone
Benzoyl-2,5-dichlorobenzene

Work with 2,5-Dichlorobenzophenone

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

2-Chlorobenzophenone5162-03-871 % similar 2-Amino-5-chlorobenzophenone719-59-567 % similar Benzophenone 785-19-867 % similar 2-Amino-2',5'-dichlorobenzophenone21723-84-263 % similar 2-(Methylamino)-5-chlorobenzophenone1022-13-562 % similar 2-Chloro-5-(trifluoromethyl)benzophenone789-96-862 % similar 3-Chlorobenzophenone1016-78-061 % similar 4-Chlorobenzophenone134-85-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichlorobenzophenone19811-05-3 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-8 4-(3,4-Dichlorophenyl)benzaldehyde50670-78-5 3,4-Dichlorobenzophenone6284-79-3 2,4'-Dichlorobenzophenone85-29-0 4,4′-Dichlorobenzophenone90-98-2

Elsewhere

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