Perfluoro-4-methylpent-2-enoyl chloride
Basic information
- CAS
207671-78-1- Standard SMILES
O=C(Cl)C(F)=C(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
PYVIQEVVGYYAJJ-UHFFFAOYSA-N- Molecular formula
- C6ClF9O
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 293.9493958
Names & identifiers
- Preferred name
- Perfluoro-4-methylpent-2-enoyl chloride
- IUPAC
- 2,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-enoyl chloride
- English name
- Hexafluoro-4-(trifluoromethyl)pent-2-enoyl chloride
- Molecular formula
- C6ClF9O
- Molecular weight
- 294.5
Names & synonyms
Perfluoro-4-methylpent-2-enoyl chlorideDTXSID60897493RefChem:368364DTXCID701326848207671-78-1HEXAFLUORO-4-TRIFLUOROMETHYL-2-PENTENOYL CHLORIDENS001111762,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-enoyl chlorideHexafluoro-4-(trifluoromethyl)pent-2-enoyl chloride2-Pentenoyl chloride, 2,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)-
Database identifiers
- CAS
207671-78-1- PubChem CID
- 53395613
- DTXSID
DTXSID60897493
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 108.6 · 108.6±40.0 °C(Predicted)
- Density
- 1.65 · 1.650±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- -4 · Perfluoro-4-methylpent-2-enoyl chloride (207671-78-1)
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- Hazard Note
- Corrosive
- HS Code
- 2933599590 · 2933599590
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
- ridadr
- 3265
- hs_code
- 2933599590
- risk_code
- 34
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
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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