Basic information
- CAS
885275-98-9- Standard SMILES
FC(F)(F)OC(F)(F)C(F)(Br)C(F)(F)Br- InChIKey
XBBIHHOYLHDMRA-UHFFFAOYSA-N- Molecular formula
- C4Br2F8O
- Average molar mass
- 375.84 g/mol
- Monoisotopic mass
- 373.81882
Names & identifiers
- Preferred name
- Perfluoro(1,2-dibromo-4-oxapentane)
- IUPAC
- 1,2-dibromo-1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)propane
- English name
- 1,2-Dibromo-1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)propane
- Molecular formula
- C4Br2F8O
- Molecular weight
- 375.84
Names & synonyms
Perfluoro(1,2-dibromo-4-oxapentane)RefChem:860196641-182-7885275-98-91,2-Dibromo-1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)propaneDTXSID90663082NS000192971,2-Dibromo-1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)propane, 2,3-Dibromopentafluoropropyl trifluoromethyl etherPropane, 1,2-dibromo-1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)-
Database identifiers
- CAS
885275-98-9- PubChem CID
- 45075673
- DTXSID
DTXSID90663082- EC Number
- 641-182-7
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 96.5 · 96.5±40.0 °C(Predicted)
- Density
- 2 · 2+-.0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,2-Dibromo-1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)propane (885275-98-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2914199090 · 2914199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers1 total
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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