Methyl 2,2,4-trichloro-3-oxobutyrate

Base Information

• Chemical Name: Methyl 2,2,4-trichloro-3-oxobutyrate
• CAS No.: 85153-68-0
• Molecular Formula: C5H5Cl3O3
• Molecular Weight: 219.4504
• European Community (EC) Number: 285-851-8
• DSSTox Substance ID: DTXSID60234304
• Nikkaji Number: J309.853B
• Wikidata: Q83116054
• Mol file: 85153-68-0.mol

Synonyms:Methyl 2,2,4-trichloro-3-oxobutyrate;85153-68-0;EINECS 285-851-8;C5H5Cl3O3;DTXSID60234304;2,2,4-Trichloro-3-oxobutanoic acid methyl ester;Butanoic acid, 2,2,4-trichloro-3-oxo-, methyl ester

Chemical Property of Methyl 2,2,4-trichloro-3-oxobutyrate

Chemical Property:

• Vapor Pressure: 0.0796mmHg at 25°C
• Boiling Point: 226.9°Cat760mmHg
• Flash Point: 92.2°C
• PSA: 43.37000
• Density: 1.504g/cm³
• LogP: 1.14120
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 217.930427
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C(=O)CCl)(Cl)Cl

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