2-Bromo-3,3,3-trifluoropropanoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
71026-98-7- Standard SMILES
O=C(O)C(Br)C(F)(F)F- InChIKey
GIGHXKRXTYSIQA-UHFFFAOYSA-N- Molecular formula
- C3H2BrF3O2
- Average molar mass
- 206.95 g/mol
- Monoisotopic mass
- 205.91903
Names & identifiers
- Preferred name
- 2-Bromo-3,3,3-trifluoropropanoic acid
- IUPAC
- 2-bromo-3,3,3-trifluoropropanoic acid
- English name
- 2-Bromo-3,3,3-trifluoropropanoicacid
- Molecular formula
- C3H2BrF3O2
- Molecular weight
- 206.95
Names & synonyms
2-Bromo-3,3,3-trifluoropropanoic acid71026-98-72-Bromo-3,3,3-trifluoropropionic acidMFCD216020822-Bromo-3,3,3-trifluoropropanoicacidSCHEMBL1993700DTXSID10546565GIGHXKRXTYSIQA-UHFFFAOYSA-NSY511397Propanoic acid, 2-bromo-3,3,3-trifluoro-
Database identifiers
- CAS
71026-98-7- PubChem CID
- 13680306
- DTXSID
DTXSID10546565
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 165.8 · 165.8±35.0 °C(Predicted)
- Density
- 2.016 · 2.016±0.06 g/cm3(Predicted)
- pka
- 0.99 · 0.99±0.10(Predicted)
- form
- liquid
- color
- Clear
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P309+P311
- HS Code
- 2915907098 · 2915907098
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
- 2915907098
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P309+P311
Related reactions
6 records
Compound notes
Loading…