4-Fluorobenzoyl chloride

C7H4ClFOCAS 403-43-0158.56 g/mol

Open in Covalent MOL file
OClF
Acyl halideAryl halide

Properties

Molecular formula
C7H4ClFO
Molar mass
158.56 g/mol
Exact mass
157.9935 Da
Melting point
9 °C
Boiling point
191–192 °C
logP
2.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 64 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
403-43-0
SMILES
O=C(Cl)c1ccc(F)cc1
InChIKey
CZKLEJHVLCMVQR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H

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Names and synonyms

7 names
  • Benzoyl chloride, 4-fluoro-
  • Benzoyl chloride, p-fluoro-
  • p-Fluorobenzoyl chloride
  • p-Fluorobenzoic acid chloride
  • 4-Fluorobenzenecarbonyl chloride
  • 4-Fluorobenzoic acid chloride
  • NSC 88305

Work with 4-Fluorobenzoyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthaloyl chloride100-20-971 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-363 % similar 3,5-Difluorobenzoyl chloride129714-97-262 % similar 4-Chlorobenzoyl chloride122-01-058 % similar 4-(Chloromethyl)benzoyl chloride876-08-457 % similar 4,4′-Difluorobenzophenone345-92-656 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-556 % similar Benzoyl chloride98-88-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluorobenzoyl chloride1711-07-5 3-Chloro-4-fluorobenzaldehyde34328-61-5 2-Chloro-6-fluorobenzaldehyde387-45-1 2-Fluorobenzoyl chloride393-52-2 4-Chloro-3-fluorobenzaldehyde5527-95-7 4-Chloro-2-fluorobenzaldehyde61072-56-8 2-Chloro-5-fluorobenzaldehyde84194-30-9 2-Chloro-4-fluorobenzaldehyde84194-36-5

Elsewhere

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