Basic information
- CAS
203302-96-9- Standard SMILES
O=C(C(Br)Br)C(F)(F)C(F)(F)F- InChIKey
OJSMVZNNJAOBLZ-UHFFFAOYSA-N- Molecular formula
- C4HBr2F5O
- Average molar mass
- 319.85 g/mol
- Monoisotopic mass
- 317.83143
Names & identifiers
- Preferred name
- 1,1-Dibromo-3,3,4,4,4-pentafluorobutan-2-one
- IUPAC
- 1,1-dibromo-3,3,4,4,4-pentafluorobutan-2-one
- English name
- 1,1-Dibromo-3,3,4,4,4-pentafluoro-2-butanone
- Molecular formula
- C4HBr2F5O
- Molecular weight
- 319.85
Names & synonyms
1,1-dibromo-3,3,4,4,4-pentafluorobutan-2-one203302-96-91,1-Dibromo-3,3,4,4,4-pentafluoro-2-butanoneC4HBr2F5O1,1-Dibromo-1H-pentafluorobutan-2-one1,1-Dibromo-3,3,4,4,4-pentafluoro-2-butanone, techSCHEMBL15293930DTXSID60371602OJSMVZNNJAOBLZ-UHFFFAOYSA-NMFCD00041448AKOS0079303631,1-dibromo-3,3,4,4,4-pentafluoro-butan-2-one
Show more names
1,1-Dibromo-1H-pentafluorobutan-2-one97%1,1-Dibromo-1H-pentafluorobutan-2-one 97%2-Butanone, 1,1-dibromo-3,3,4,4,4-pentafluoro-1,1-Dibromo-3,3,4,4,4-pentafluorobutan-2-one, 4,4-Dibromo-3-oxo-1,1,1,2,2-pentafluorobutane
Database identifiers
- CAS
203302-96-9- PubChem CID
- 2736784
- DTXSID
DTXSID60371602
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 123 · 123
- Density
- 2.194 · 2.194±0.06 g/cm3(Predicted)
- refractive index
- 1.398 · 1.398
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, LACHRYMATOR
- HS Code
- 2914290090 · 2914290090
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
- 2914290090
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- IRRITANT, LACHRYMATOR
Chemistry & industry
Suppliers3 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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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