1-Chloro-3-fluorobenzene

C6H4ClFCAS 625-98-9130.55 g/mol

Open in Covalent MOL file
FCl
Aryl halide

Properties

Molecular formula
C6H4ClF
Molar mass
130.55 g/mol
Exact mass
129.9986 Da
Density
1.221 g/mL (at 25 °C)
Melting point
below −78 °C
Boiling point
127.6 °C
logP
2.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
625-98-9
SMILES
Fc1cccc(Cl)c1
InChIKey
VZHJIJZEOCBKRA-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-chloro-3-fluoro-
  • 1-Fluoro-3-chlorobenzene
  • 3-Chlorofluorobenzene
  • m-Fluorochlorobenzene
  • m-Chlorofluorobenzene
  • 3-Fluorochlorobenzene
  • 3-Fluoro-1-chlorobenzene
  • m-Monofluoromonochlorobenzene
  • 3-Chloro-1-fluorobenzene
  • NSC 10271
  • 3-Fluorophenyl chloride

Work with 1-Chloro-3-fluorobenzene

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

1,3-Difluorobenzene372-18-961 % similar 1,3-Dichlorobenzene541-73-161 % similar 3,5-Difluorochlorobenzene1435-43-460 % similar 1,3-Dichloro-5-fluorobenzene1435-46-760 % similar 3,3'-Difluoro-1,1'-biphenyl396-64-552 % similar 3-Chloro-5-fluoropyridine514797-99-048 % similar 3-Chloro-5-fluorophenol202982-70-546 % similar 1-Bromo-3-chloro-5-fluorobenzene33863-76-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-fluorobenzene348-51-6 1-Chloro-4-fluorobenzene352-33-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook