chempirical

1-Bromoperfluorohexane

C6BrF13CAS 335-56-8398.95 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFBr
Alkyl halide

Properties

Molecular formula
C6BrF13
Molar mass
398.95 g/mol
Exact mass
397.8976 Da
Boiling point
98 °C
logP
5.08Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
335-56-8
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIKey
JTYRBFORUCBNHJ-UHFFFAOYSA-N
InChI
InChI=1S/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20

Weigh it out

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

Names and synonyms

7 names
  • Hexane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
  • n-Perfluorohexyl bromide
  • 1-Bromotridecafluorohexane
  • Tridecafluorohexyl bromide
  • Hexane, 1-bromotridecafluoro-
  • 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
  • Perfluorohexylbromide

Work with 1-Bromoperfluorohexane

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-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane375-88-2100 % similar Perfluorooctyl bromide423-55-2100 % similar Nonadecafluorononyl bromide558-96-3100 % similar 1-Bromononafluorobutane375-48-494 % similar 1-Bromo-1,1,2,2,3,3,3-heptafluoropropane422-85-582 % similar 1,8-Dibromoperfluorooctane812-58-881 % similar 1,6-Dibromododecafluorohexane918-22-981 % similar 1,4-Dibromooctafluorobutane335-48-875 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook