1,1,2-Tribromo-1-(nonafluorobutyl)ethane
Basic information
- CAS
59665-24-6- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)(Br)CBr- InChIKey
LEHFCMSFGKMRKH-UHFFFAOYSA-N- Molecular formula
- C6H2Br3F9
- Average molar mass
- 484.78 g/mol
- Monoisotopic mass
- 481.75629
Names & identifiers
- Preferred name
- 1,1,2-Tribromo-1-(nonafluorobutyl)ethane
- IUPAC
- 5,5,6-tribromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
- English name
- 1,1,2-Tribromo-1-(nonafluorobutyl)ethane
- Molecular formula
- C6H2Br3F9
- Molecular weight
- 484.78
Names & synonyms
59665-24-61,1,2-Tribromo-1-(nonafluorobutyl)ethane1,2,2-Tribromo-1H,1H-perfluorohexane5,5,6-tribromo-1,1,1,2,2,3,3,4,4-nonafluorohexane5,5,6-tribromo-1,1,1,2,2,3,3,4,4-nonafluoro-hexane1,1,2-Tribromo-1-(perfluorobutyl)ethaneC6H2Br3F9DTXSID40380272LEHFCMSFGKMRKH-UHFFFAOYSA-NMFCD00077595AKOS017344072NS00110200
Show more names
1H,1H-NONAFLUORO-1,2,2-TRIBROMOHEXANE1,1,2-Tribromo-1-(nonafluorobutyl)ethane97%1,1,2-Tribromo-1-(nonafluorobutyl)ethane 97%Hexane, 5,5,6-tribromo-1,1,1,2,2,3,3,4,4-nonafluoro-
Database identifiers
- CAS
59665-24-6- PubChem CID
- 2776850
- DTXSID
DTXSID40380272
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 97 °C · 97°C 2,5mm
- Density
- 2 · 2,275 g/cm3
- refractive index
- 1.42 · 1.42
- EPA Substance Registry System
- 1 · 1,1,2-Tribromo-1-(nonafluorobutyl)ethane (59665-24-6)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
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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