2-Bromo-2-cyanohexafluoropropane
Basic information
- CAS
52198-56-8- Standard SMILES
N#CC(Br)(C(F)(F)F)C(F)(F)F- InChIKey
KBMDBLCFKPRPOC-UHFFFAOYSA-N- Molecular formula
- C4BrF6N
- Average molar mass
- 255.94 g/mol
- Monoisotopic mass
- 254.91183
Names & identifiers
- Preferred name
- 2-Bromo-2-cyanohexafluoropropane
- IUPAC
- 2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanenitrile
- English name
- 2-Bromo-2-cyanohexafluoropropane
- Molecular formula
- C4BrF6N
- Molecular weight
- 255.94
Names & synonyms
2-Bromo-2-cyanohexafluoropropane52198-56-8DTXSID30371230RefChem:256948DTXCID503222642-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanenitrilebromohexafluoroisobutyronitrileSCHEMBL28685833SBB101650DB-052093Propanenitrile, 2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)-2-BROMOHEXAFLUOROISOBUTYRONITRILE
Show more names
2-Bromo-2-cyanohexafluoropropane97%2-Bromo-2-cyanohexafluoropropane 97%2-BROMOHEXAFLUOROISOBUTYRONITRILE 96%Bis(trifluoromethyl)Bromoacetonitrile2-Bromo-2-(trifluoromethyl)-3,3,3-trifluoropropionitrile2-Bromo-2-cyanohexafluoropropane~2-Bromo-2-(trifluoromethyl)-3,3,3-trifluoropropionitrile
Database identifiers
- CAS
52198-56-8- PubChem CID
- 2736246
- DTXSID
DTXSID30371230- Nikkaji
- J2.279.463I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 59 · 59
- Density
- 1.661 · 1.661
- refractive index
- 1.327 · 1.327
- Hazard Codes
- Xi,T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 36 · 36/37/39-45
- Hazard Note
- Irritant/Toxic
- HS Code
- 2926907090 · 2926907090
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
- 2926907090
- risk_code
- 23/24/25
- hazard_code
- Xi,T
- hazard_note
- Irritant/Toxic
- safety_code
- 36/37/39-45
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Related reactions
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Compound notes
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