1,4-Bis(difluoromethyl)benzene

C8H6F4CAS 369-54-0178.13 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C8H6F4
Molar mass
178.13 g/mol
Exact mass
178.0406 Da
Density
1.312 g/mL (at 25 °C)
Boiling point
54 °C (at 20 Torr)
logP
3.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
369-54-0
SMILES
FC(F)c1ccc(C(F)F)cc1
InChIKey
VWKMZVCSRVFUGW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,4-bis(difluoromethyl)-
  • p-Xylene, α,α,α′,α′-tetrafluoro-
  • α,α,α′,α′-Tetrafluoro-p-xylene

Work with 1,4-Bis(difluoromethyl)benzene

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

(Difluoromethyl)benzene455-31-269 % similar 1-Bromo-4-difluoromethylbenzene51776-71-767 % similar 1-Bromo-3-(difluoromethyl)-5-fluorobenzene627526-90-335 % similar 1,4-Diisopropylbenzene100-18-533 % similar 1,4-Bis(dibromomethyl)benzene1592-31-033 % similar 4,4′-Difluorobenzhydryl chloride27064-94-430 % similar Bis(4-fluorophenyl)methanol365-24-230 % similar 1-(Dichloromethyl)-4-fluorobenzene456-19-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5,6-Tetrafluoro-P-xylene703-87-7 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene80245-26-7

Elsewhere

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