1,4-Bis(trifluoromethyl)benzene

C8H4F6CAS 433-19-2214.11 g/mol

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Alkyl halide

Properties

Molecular formula
C8H4F6
Molar mass
214.11 g/mol
Exact mass
214.0217 Da
Boiling point
116 °C
logP
3.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 46 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
433-19-2
SMILES
FC(F)(F)c1ccc(C(F)(F)F)cc1
InChIKey
PDCBZHHORLHNCZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1,4-bis(trifluoromethyl)-
  • p-Xylene, α,α,α,α′,α′,α′-hexafluoro-
  • α,α,α,α′,α′,α′-Hexafluoro-p-xylene
  • p-Bis(trifluoromethyl)benzene
  • p-Trifluoromethylbenzotrifluoride
  • 1,4-Di(trifluoromethyl)benzene
  • NSC 61992
  • p-Xylene hexafluoride
  • PTF-TFM

Work with 1,4-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

4-Fluorobenzotrifluoride402-44-871 % similar Trifluorotoluene98-08-869 % similar Tris(4-trifluoromethylphenyl)phosphine13406-29-667 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-767 % similar 4-(Trifluoromethyl)phenol402-45-967 % similar 1-Iodo-4-(trifluoromethyl)benzene455-13-067 % similar 4-(Trifluoromethyl)aniline455-14-167 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-667 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(trifluoromethyl)benzene402-31-3 1,2-Bis(trifluoromethyl)benzene433-95-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook