1,1,1-Tribromo-2,2,2-trifluoroethane
Basic information
- CAS
354-48-3- Standard SMILES
FC(F)(F)C(Br)(Br)Br- InChIKey
CALRXIQBQWFLRG-UHFFFAOYSA-N- Molecular formula
- C2Br3F3
- Average molar mass
- 320.73 g/mol
- Monoisotopic mass
- 317.75022
Names & identifiers
- Preferred name
- 1,1,1-Tribromo-2,2,2-trifluoroethane
- IUPAC
- 1,1,1-tribromo-2,2,2-trifluoroethane
- English name
- 1,1,1-Tribromotrifluoroethane
- Molecular formula
- C2Br3F3
- Molecular weight
- 320.73
Names & synonyms
1,1,1-Tribromo-2,2,2-trifluoroethane354-48-3EINECS 206-560-4DTXSID20188879RefChem:70841DTXCID30111370206-560-4Ethane, 1,1,1-tribromo-2,2,2-trifluoro-Y956G92HG6CF3CBr3UNII-Y956G92HG6SCHEMBL7815534
Show more names
ethane,1,1,1-tribromo-2,2,2-trifluoro-1,1,1-TRIBROMOTRIFLUOROETHANE ISO 9001：2015 REACH
1,1,1-trifluoro-tribromoethaneNS00042121
Database identifiers
- CAS
354-48-3- PubChem CID
- 67718
- DTXSID
DTXSID20188879- UNII
- Y956G92HG6
- EC Number
- 206-560-4
- Nikkaji
- J129.119J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 114 °C · 114°C
- Density
- 2 · 2.0000 (rough estimate)
- refractive index
- 1.464 · 1.4640 (estimate)
- FDA UNII
- 956 G92HG6 · Y956G92HG6
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
3 records
Compound notes
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