Basic information
- CAS
128454-91-1- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(CCBr)(C(F)(F)F)C(F)(F)F- InChIKey
UVKBMPCVVMQGLN-UHFFFAOYSA-N- Molecular formula
- C3F7C(CF3)2CH2CH2Br
- Average molar mass
- 427 g/mol
- Monoisotopic mass
- 425.92888
Names & identifiers
- Preferred name
- 6-Bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)hexane
- IUPAC
- 6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)hexane
- English name
- 1-BROMO-4,4,5,5,6,6,6-HEPTAFLUORO-3,3-BIS(TRIFLUOROMETHYL)HEXANE
- Molecular formula
- C8H4BrF13
- Molecular weight
- 427
Names & synonyms
128454-91-16-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)hexaneDTXSID40371286RefChem:307281DTXCID503223201-BROMO-4,4,5,5,6,6,6-HEPTAFLUORO-3,3-BIS(TRIFLUOROMETHYL)HEXANEMFCD00153700AKOS008901158NS001101923,3-Bis(trifluoromethyl)-1-bromo-4,4,5,5,6,6,6-heptafluorohexaneHexane, 6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)-
Database identifiers
- CAS
128454-91-1- PubChem CID
- 2736336
- DTXSID
DTXSID40371286
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other Nonpolymers
PFAS -> Other/unspecified
PFAS -> non-polymer
Physicochemical properties
- Boiling point
- 159.8 · 159.8±8.0 °C(Predicted)
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 6 · 6-Bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)hexane (128454-91-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Printing (Inks) -> Toner and printer inks
• Solvent for printing ink [Ref: CAS2019 (CN109810567)]
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers9 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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