Butanoic acid, 2,2-dichloro-3-oxo-, methyl ester
Basic information
- CAS
6134-69-6- Standard SMILES
COC(=O)C(Cl)(Cl)C(C)=O- InChIKey
ACSFRJMUABMPHG-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2O3
- Average molar mass
- 185 g/mol
- Monoisotopic mass
- 183.9693994
Names & identifiers
- Preferred name
- Butanoic acid, 2,2-dichloro-3-oxo-, methyl ester
- IUPAC
- methyl 2,2-dichloro-3-oxobutanoate
- English name
- methyl 2,2-dichloroacetoacetate
- Molecular formula
- C5H6Cl2O3
- Molecular weight
- 185.00534
Names & synonyms
Butanoic acid, 2,2-dichloro-3-oxo-, methyl esterRefChem:571334methyl 2,2-dichloro-3-oxobutanoateMethyl 2,2-dichloroacetoacetate6134-69-63PT5XU9PDSEINECS 228-105-9UNII-3PT5XU9PDSDTXSID60210249ACSFRJMUABMPHG-UHFFFAOYSA-N2,2-Dichloroacetoacetic acid methyl ester2,2-Dichloro-3-oxobutanoic acid methyl ester
Database identifiers
- CAS
6134-69-6- PubChem CID
- 80218
- DTXSID
DTXSID60210249- UNII
- 3PT5XU9PDS
- EC Number
- 228-105-9
- Nikkaji
- J227.314D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- FDA UNII
- 3 PT5XU9PDS · 3PT5XU9PDS
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butanoic acid, 2,2-dichloro-3-oxo-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Upstream & downstream products
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Compound notes
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