1,2,3,4-Tetrafluorobenzene

C6H2F4CAS 551-62-2150.08 g/mol

Open in Covalent MOL file
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Aryl halide

Properties

Molecular formula
C6H2F4
Molar mass
150.08 g/mol
Exact mass
150.0093 Da
Density
1.401 g/mL (at 25.5 °C)
Melting point
−42 °C
Boiling point
94.3 °C
logP
2.24Crippen 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
551-62-2
SMILES
Fc1ccc(F)c(F)c1F
InChIKey
SOZFIIXUNAKEJP-UHFFFAOYSA-N
InChI
InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2,3,4-tetrafluoro-
  • 2,3,4,5-Tetrafluorobenzene
  • o-Tetrafluorobenzene
  • NSC 21635

Work with 1,2,3,4-Tetrafluorobenzene

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-2,3,4-trifluorobenzene176317-02-563 % similar 2,3,4-Trifluorotoluene193533-92-563 % similar 2,3,4-Trifluorophenol2822-41-563 % similar 2,3,4-Trifluorochlorobenzene36556-42-063 % similar 2,3,4-Trifluoroaniline3862-73-563 % similar 1,2,3-Trifluorobenzene1489-53-863 % similar 2,3,6-Trifluorophenol113798-74-658 % similar 2-Bromo-1,3,4-trifluorobenzene176793-04-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,5-Tetrafluorobenzene2367-82-0 1,2,4,5-Tetrafluorobenzene327-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook