1,2-Bis(trifluoromethyl)benzene

C8H4F6CAS 433-95-4214.11 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C8H4F6
Molar mass
214.11 g/mol
Exact mass
214.0217 Da
Boiling point
140–142 °C
logP
3.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 41 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, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
433-95-4
SMILES
FC(F)(F)c1ccccc1C(F)(F)F
InChIKey
XXZOEDQFGXTEAD-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1,2-bis(trifluoromethyl)-
  • o-Xylene, α,α,α,α′,α′,α′-hexafluoro-
  • o-Bis(trifluoromethyl)benzene
  • 1,2-Di(trifluoromethyl)benzene
  • α,α,α,α′,α′,α′-Hexafluoro-o-xylene

Work with 1,2-Bis(trifluoromethyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2-(trifluoromethyl)benzene392-83-665 % similar 2-Fluorobenzotrifluoride392-85-865 % similar [2-(Trifluoromethyl)phenyl]hydrazine365-34-464 % similar 2-(Trifluoromethyl)benzenethiol13333-97-662 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-862 % similar 1-Iodo-2-(trifluoromethyl)benzene444-29-162 % similar 2-(Trifluoromethyl)phenol444-30-462 % similar 2-Chlorobenzotrifluoride88-16-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(trifluoromethyl)benzene402-31-3 1,4-Bis(trifluoromethyl)benzene433-19-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook