1,4-Difluorobenzene

C₆H₄F₂CAS 540-36-3114.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄F₂
Molar mass: 114.09 g/mol
Exact mass: 114.0281 Da
Density: 1.1725 g/mL (at 18.5 °C)
Melting point: −13 °C
Boiling point: 89 °C
logP: 1.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

540-36-3

SMILES

Fc1ccc(F)cc1

InChIKey

QUGUFLJIAFISSW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1,4-difluoro-
Benzene, p-difluoro-
p-Difluorobenzene
NSC 10286
2,5-Difluorobenzene

Work with 1,4-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

1,1′-Oxybis[4-fluorobenzene]330-93-860 % similar 4-Fluorotoluene352-32-960 % similar 1-Chloro-4-fluorobenzene352-33-060 % similar 1-Fluoro-4-iodobenzene352-34-160 % similar 4-Fluoroaniline371-40-460 % similar 4-Fluorophenol371-41-560 % similar 4-Fluorobenzenethiol371-42-660 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-160 % similar

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

Same formula

1,2-Difluorobenzene367-11-3 1,3-Difluorobenzene372-18-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook