4-Fluorobenzotrifluoride

C7H4F4CAS 402-44-8164.10 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halide

Properties

Molecular formula
C7H4F4
Molar mass
164.10 g/mol
Exact mass
164.0249 Da
Melting point
−41.7 °C
Boiling point
103.5 °C
logP
2.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 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
402-44-8
SMILES
Fc1ccc(C(F)(F)F)cc1
InChIKey
UNNNAIWPDLRVRN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzene, 1-fluoro-4-(trifluoromethyl)-
  • Toluene, p,α,α,α-tetrafluoro-
  • 1-Fluoro-4-(trifluoromethyl)benzene
  • p-Fluorobenzotrifluoride
  • p-Fluoro(trifluoromethyl)benzene
  • α,α,α,p-Tetrafluorotoluene
  • p-(Trifluoromethyl)fluorobenzene
  • p,α,α,α-Tetrafluorotoluene
  • α,α,α,4-Tetrafluorotoluene
  • 4-(Trifluoromethyl)fluorobenzene
  • 4-Fluoro(trifluoromethyl)benzene
  • NSC 88289
  • 4-Trifluoromethyl-1-fluorobenzene
  • 4-Trifluoromethylphenyl fluoride
  • 4-Fluoro-1-trifluoromethylbenzene

Work with 4-Fluorobenzotrifluoride

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

1,4-Bis(trifluoromethyl)benzene433-19-271 % similar 1,4-Difluorobenzene540-36-353 % similar Trifluorotoluene98-08-852 % similar Tris(4-trifluoromethylphenyl)phosphine13406-29-652 % similar 4,4',4''-Trifluorotrityl alcohol379-57-752 % similar 1-Fluoro-4-(trichloromethyl)benzene402-42-652 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-752 % similar 4-(Trifluoromethyl)phenol402-45-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorobenzotrifluoride392-85-8 Alpha,alpha,alpha,3-Tetrafluorotoluene401-80-9 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook