1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane
Properties
- Molecular formula
- C3Br2F6
- Molar mass
- 309.83 g/mol
- Exact mass
- 307.8271 Da
- Density
- 2.1693 g/mL (at 20 °C)
- Melting point
- 70–72 °C
- Boiling point
- 72–73 °C
- logP
- 3.60Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed65.6% of notifiers
- H312 Harmful in contact with skin66.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled66.4% of notifiers
- H332 Harmful if inhaled28.9% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 128 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
661-95-0SMILES
FC(F)(F)C(F)(Br)C(F)(F)BrInChIKey
KTULQNFKNLFOHL-UHFFFAOYSA-NInChI
InChI=1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro-
- Propane, 1,2-dibromohexafluoro-
- 1,2-Dibromohexafluoropropane
- 1,2-Dibromoperfluoropropane
- R 216B2
Work with 1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane
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-Bromo-1,1,1,2,3,3,3-heptafluoropropane422-77-565 % similar
1-Bromononafluorobutane375-48-448 % similar
1-Bromo-1,1,2,2,3,3,3-heptafluoropropane422-85-548 % similar
Dibromotetrafluoroethane124-73-247 % similar
1-Bromoperfluorohexane335-56-845 % similar
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane375-88-245 % similar
Perfluorooctyl bromide423-55-245 % similar
Nonadecafluorononyl bromide558-96-345 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.