4-Bromo-4,4-difluorobutanoic acid
Basic information
- CAS
147345-36-6- Standard SMILES
O=C(O)CCC(F)(F)Br- InChIKey
YAIWEWFNTHJMTH-UHFFFAOYSA-N- Molecular formula
- C4H5BrF2O2
- Average molar mass
- 202.98 g/mol
- Monoisotopic mass
- 201.9441
Names & identifiers
- Preferred name
- 4-Bromo-4,4-difluorobutanoic acid
- IUPAC
- 4-bromo-4,4-difluorobutanoic acid
- English name
- 4-Bromo-4,4-difluorobutyric acid
- Molecular formula
- C4H5BrF2O2
- Molecular weight
- 202.98
Names & synonyms
147345-36-64-bromo-4,4-difluorobutanoic acid4-Bromo-4,4-difluorobutyric acid4-BROMO-4,4-DIFLUOROBUTYRICACIDButanoic acid, 4-bromo-4,4-difluoro-4-bromo-4,4-difluoro-butanoic AcidSCHEMBL7023611DTXSID40371246MFCD00077462SBB093034AKOS034834171EN300-650564
Show more names
4-Bromo-4,4-difluorobutyricacid97%4-Bromo-4,4-difluorobutyric acid 97%
Database identifiers
- CAS
147345-36-6- PubChem CID
- 2736276
- DTXSID
DTXSID40371246- EC Number
- 879-674-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 90 · 90-92°C
- Density
- 1.791 · 1.791±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.10(Predicted)
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Corrosive
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
- risk_code
- 34
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
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Related reactions
6 records
Compound notes
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