Propanoic acid, 3,3-dibromo-2-oxo-
Basic information
- CAS
600-35-1- Standard SMILES
O=C(O)C(=O)C(Br)Br- InChIKey
UPWSEHPIDUSFRO-UHFFFAOYSA-N- Molecular formula
- C3H2Br2O3
- Average molar mass
- 245.85 g/mol
- Monoisotopic mass
- 243.83707
Names & identifiers
- Preferred name
- Propanoic acid, 3,3-dibromo-2-oxo-
- IUPAC
- 3,3-dibromo-2-oxopropanoic acid
- English name
- dibromopyruvic acid
- Molecular formula
- C3H2Br2O3
- Molecular weight
- 245.85
Names & synonyms
3,3-Dibromo-2-oxopropanoic acid600-35-1Dibromopyruvic acidPropanoic acid, 3,3-dibromo-2-oxo-Pyruvic acid, dibromo-BRN 1754676DTXSID202087033-03-00-01168 (Beilstein Handbook Reference)RefChem:374774DTXCID30131194Propanoic acid, 3,3-dibromo-2-oxo-(9CI)MFCD01686782
Show more names
C3H2Br2O33,3-dibromo-2-oxo-propanoic acidDibrombrenztraubensaurePropanoic acid, 3,3-dibromo-2-oxo- (9CI)SCHEMBL246026333-Dibromo-2-oxopropanoic acidAKOS037649207BS-17194
Database identifiers
- CAS
600-35-1- PubChem CID
- 120293
- DTXSID
DTXSID20208703- Nikkaji
- J2.729D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 304 · H304
- Precautionary statements
- 301 · P301+P310-P331-P403-P501c
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
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H304
- Precautionary statements
- P301+P310-P331-P403-P501c
Chemistry & industry
Applications
Uses3,3-Dibromo-2-oxopropanoic acid is a useful research chemical, a cytochrome b2 inhibitor.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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