Ethyl 3,3-dibromo-2-oxopropanoate
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Basic information
- CAS
76179-25-4- Standard SMILES
CCOC(=O)C(=O)C(Br)Br- InChIKey
MNNLKNXLOUVIKS-UHFFFAOYSA-N- Molecular formula
- C5H6Br2O3
- Average molar mass
- 273.91 g/mol
- Monoisotopic mass
- 271.86837
Names & identifiers
- Preferred name
- Ethyl 3,3-dibromo-2-oxopropanoate
- IUPAC
- ethyl 3,3-dibromo-2-oxopropanoate
- English name
- Propanoic acid, 3,3-dibromo-2-oxo-, ethyl ester
- Molecular formula
- C5H6Br2O3
- Molecular weight
- 273.91
Names & synonyms
Ethyl 3,3-dibromo-2-oxopropanoate76179-25-4Propanoic acid, 3,3-dibromo-2-oxo-, ethyl esterMFCD25967009Ethyl dibromopyruvateDTXSID20336434MNNLKNXLOUVIKS-UHFFFAOYSA-Nethyl 3,3-dibromo-2-oxo-propanoateAKOS028111470Ethyl 3,3-dibromo-2-oxopropanoate #BS-17523CS-0187404
Show more names
E74294F545095
Database identifiers
- CAS
76179-25-4- PubChem CID
- 533760
- DTXSID
DTXSID20336434
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 226.8 · 226.8±30.0 °C(Predicted)
- Density
- 1.978 · 1.978±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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