chempirical

1,3-Difluorobenzene

C6H4F2CAS 372-18-9114.09 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C6H4F2
Molar mass
114.09 g/mol
Exact mass
114.0281 Da
Density
1.1651 g/mL (at 15.5 °C)
Melting point
−69 °C
Boiling point
82.6 °C
logP
1.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
372-18-9
SMILES
Fc1cccc(F)c1
InChIKey
UEMGWPRHOOEKTA-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F2/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

6 names
  • Benzene, 1,3-difluoro-
  • Benzene, m-difluoro-
  • m-Difluorobenzene
  • NSC 10285
  • 2,4-Difluorobenzene
  • 1,3-Bisfluorobenzene

Work with 1,3-Difluorobenzene

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

3,3′-Difluoro-1,1′-biphenyl396-64-569 % similar 1,3,5-Trifluorobenzene372-38-362 % similar 1-Chloro-3-fluorobenzene625-98-961 % similar 1-Bromo-3-fluorobenzene1073-06-958 % similar 1-Fluoro-3-iodobenzene1121-86-458 % similar 3-Fluorothiophenol2557-77-958 % similar 3-Fluorotoluene352-70-558 % similar 3-Fluoroaniline372-19-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2-Difluorobenzene367-11-3 1,4-Difluorobenzene540-36-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook