2,3,4,5-Tetrafluorobenzoyl chloride

C7HClF4OCAS 94695-48-4212.53 g/mol

Open in Covalent MOL file
OClFFFF
Acyl halideAryl halide

Properties

Molecular formula
C7HClF4O
Molar mass
212.53 g/mol
Exact mass
211.9652 Da
Boiling point
65–70 °C (at 15 Torr)
logP
2.62Crippen 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
94695-48-4
SMILES
O=C(Cl)c1cc(F)c(F)c(F)c1F
InChIKey
XWCKIXLTBNGIHV-UHFFFAOYSA-N
InChI
InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H

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Names and synonyms

2 names
  • Benzoyl chloride, 2,3,4,5-tetrafluoro-
  • 2,3,4,5-Tetrafluorobenzoic acid chloride

Work with 2,3,4,5-Tetrafluorobenzoyl 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

2,3,5-Trifluorobenzoyl chloride240800-48-068 % similar 2,3,4-Trifluorobenzoyl chloride157373-08-567 % similar 2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-263 % similar 2,4,5-Trifluorobenzoyl chloride88419-56-162 % similar 3,4,5-Trifluorobenzoyl chloride177787-26-760 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-656 % similar 2',3',4',5'-Tetrafluoroacetophenone66286-21-356 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5,6-Tetrafluorobenzoyl chloride107535-73-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook