Basic information
- CAS
96916-53-9- Standard SMILES
C=C(Br)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
XKBHBVFIWWDGQX-UHFFFAOYSA-N- Molecular formula
- C5H2BrF7
- Average molar mass
- 274.96 g/mol
- Monoisotopic mass
- 273.92281
Names & identifiers
- Preferred name
- 2-Bromo-3,3,4,4,5,5,5-heptafluoropent-1-ene
- IUPAC
- 2-bromo-3,3,4,4,5,5,5-heptafluoropent-1-ene
- English name
- 2-BROMO-3,3,4,4,5,5,5-HEPTAFLUORO-1-PENTENE
- Molecular formula
- C5H2BrF7
- Molecular weight
- 274.96
Names & synonyms
2-bromo-3,3,4,4,5,5,5-heptafluoropent-1-ene96916-53-9DTXSID60371288RefChem:256973DTXCID703223222-bromo-3,3,4,4,5,5,5-heptafluoro-1-pentene2-bromo-3,3,4,4,5,5,5-heptafluoro-pent-1-eneSCHEMBL1221484XKBHBVFIWWDGQX-UHFFFAOYSA-NMFCD00153702AKOS016015233NS00110870
Show more names
2-BROMO-2-(HEPTAFLUOROPROPYL)ETHYLENE2-bromo-3,3,4,4,5,5,5-heptafluro-1-pentene1-Pentene, 2-bromo-3,3,4,4,5,5,5-heptafluoro-2-Bromo-3,3,4,4,5,5,5-heptafluoropent-1-ene97%2-Bromo-3,3,4,4,5,5,5-heptafluoropent-1-ene 97%
Database identifiers
- CAS
96916-53-9- PubChem CID
- 2736339
- DTXSID
DTXSID60371288- Nikkaji
- J1.254.471E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 85.5 · 85.5±40.0 °C(Predicted)
- Density
- 1.746 · 1.746±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Clear
- EPA Substance Registry System
- 2 · 2-Bromo-3,3,4,4,5,5,5-heptafluoropent-1-ene (96916-53-9)
- 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
- Hazard Note
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
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers4 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [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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