3,5-Bis(trifluoromethyl)benzoyl chloride

C9H3ClF6OCAS 785-56-8276.56 g/mol

Open in Covalent MOL file
OClFFFFFF
Acyl halideAlkyl halide

Properties

Molecular formula
C9H3ClF6O
Molar mass
276.56 g/mol
Exact mass
275.9777 Da
logP
4.10Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
785-56-8
SMILES
O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
WAKMMQSMEDJRRI-UHFFFAOYSA-N
InChI
InChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzoyl chloride, 3,5-bis(trifluoromethyl)-
  • 3′,5′-Bis(trifluoromethyl)benzoyl chloride
  • 3,5-Bis(trifluoromethyl)benzenecarbonyl chloride
  • 3,5-Ditrifluoromethylbenzoyl chloride

Work with 3,5-Bis(trifluoromethyl)benzoyl chloride

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

3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-477 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-268 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-766 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone175136-66-061 % similar Trimesoyl chloride4422-95-156 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one30071-93-355 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-355 % similar 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-9 2,5-Bis(trifluoromethyl)benzoyl chloride393-82-8 2,4-Bis(trifluoromethyl)benzoyl chloride53130-43-1 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-2

Elsewhere

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