chempirical

Bromopentafluorobenzene

C6BrF5CAS 344-04-7246.96 g/mol

Open in Covalent MOL file
FFFBrFF
Aryl halide

Properties

Molecular formula
C6BrF5
Molar mass
246.96 g/mol
Exact mass
245.9104 Da
Density
1.9503 g/mL (at 20 °C)
Melting point
−31 °C
Boiling point
137 °C
logP
3.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
344-04-7
SMILES
Fc1c(F)c(F)c(Br)c(F)c1F
InChIKey
XEKTVXADUPBFOA-UHFFFAOYSA-N
InChI
InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

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Names and synonyms

7 names
  • Benzene, 1-bromo-2,3,4,5,6-pentafluoro-
  • Benzene, bromopentafluoro-
  • 1-Bromo-2,3,4,5,6-pentafluorobenzene
  • Bromoperfluorobenzene
  • Pentafluorobromobenzene
  • Pentafluorophenyl bromide
  • NSC 21630

Work with Bromopentafluorobenzene

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-Dibromo-2,4,5,6-tetrafluorobenzene1559-87-192 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-691 % similar 1,2-Dibromotetrafluorobenzene827-08-783 % similar 4,4′-Dibromooctafluorobiphenyl10386-84-271 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-256 % similar Hexafluorobenzene392-56-355 % similar 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde108574-98-750 % similar 4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole1295502-53-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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