1,2,3,4-Tetrafluorobenzene

C₆H₂F₄CAS 551-62-2150.08 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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

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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

2,3,4-Trifluoroaniline3862-73-563 % similar 2,3,6-Trifluorophenol113798-74-658 % similar Pentafluorobenzene363-72-456 % similar 2,3,4-Trifluorobenzaldehyde161793-17-555 % similar 2,3,6-Trifluorobenzaldehyde104451-70-950 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-150 % similar 2,3,6-Trifluorobenzenemethanamine230295-09-750 % similar 2,3,4-Trifluorobenzenesulfonyl chloride175278-08-748 % 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

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