5,6-Dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
Basic information
- CAS
236736-19-9- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)CBr- InChIKey
ABBOXTQECRSSQR-UHFFFAOYSA-N- Molecular formula
- C6H3Br2F9
- Average molar mass
- 405.88 g/mol
- Monoisotopic mass
- 403.84578
Names & identifiers
- Preferred name
- 5,6-Dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
- IUPAC
- 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
- English name
- 1,2-Dibromo-3,3,4,4,5,5,6,6,6-nonafluorohexane
- Molecular formula
- C6H3Br2F9
- Molecular weight
- 405.88
Names & synonyms
236736-19-95,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexaneDTXSID90371599RefChem:298557DTXCID003226331,2-Dibromo-1H,1H,2H-perfluorohexane1,2-Dibromo-3,3,4,4,5,5,6,6,6-nonafluorohexaneHexane, 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluoro-5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluoro-hexaneSCHEMBL31519801SCHEMBL31519802ABBOXTQECRSSQR-UHFFFAOYSA-N
Show more names
MFCD00042234AKOS007930381NS00111905
Database identifiers
- CAS
236736-19-9- PubChem CID
- 2736781
- DTXSID
DTXSID90371599
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 5 · 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane (236736-19-9)
- HS Code
- 2903793090 · 2903793090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2903793090
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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