1,3,5-Trifluorobenzene

C6H3F3CAS 372-38-3132.09 g/mol

Open in Covalent MOL file
FFF
Aryl halide

Properties

Molecular formula
C6H3F3
Molar mass
132.09 g/mol
Exact mass
132.0187 Da
Density
1.277 g/mL (at 20 °C)
Melting point
−5.5 °C
Boiling point
75.5 °C
logP
2.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 48 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
372-38-3
SMILES
Fc1cc(F)cc(F)c1
InChIKey
JXUKFFRPLNTYIV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,3,5-trifluoro-
  • Sym-Trifluorobenzene
  • NSC 10264

Work with 1,3,5-Trifluorobenzene

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

1,3-Difluorobenzene372-18-962 % similar 3,5-Difluorotoluene117358-51-760 % similar 3,5-Difluorochlorobenzene1435-43-460 % similar 1,3-Difluoro-5-iodobenzene2265-91-060 % similar 3,5-Difluorophenol2713-34-060 % similar 3,5-Difluoroaniline372-39-460 % similar 1-Bromo-3,5-difluorobenzene461-96-160 % similar 3,5-Difluoropyridine71902-33-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3-Trifluorobenzene1489-53-8 1,2,4-Trifluorobenzene367-23-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook