1-Phenylethyl 2,2-dichloroacetoacetate

Base Information

• Chemical Name: 1-Phenylethyl 2,2-dichloroacetoacetate
• CAS No.: 85153-57-7
• Molecular Formula: C12H12Cl2O3
• Molecular Weight: 275.12788
• European Community (EC) Number: 285-839-2
• DSSTox Substance ID: DTXSID001005588
• Nikkaji Number: J309.843E
• Mol file: 85153-57-7.mol

Synonyms:1-Phenylethyl 2,2-dichloroacetoacetate;85153-57-7;EINECS 285-839-2;1-phenylethyl 2,2-dichloro-3-oxobutanoate;DTXSID001005588;2,2-Dichloro-3-oxobutanoic acid 1-phenylethyl ester;Butanoic acid, 2,2-dichloro-3-oxo-, 1-phenylethyl ester

Chemical Property of 1-Phenylethyl 2,2-dichloroacetoacetate

Chemical Property:

• Vapor Pressure: 0.000296mmHg at 25°C
• Boiling Point: 321.6°C at 760 mmHg
• Flash Point: 121.4°C
• PSA: 43.37000
• Density: 1.295g/cm³
• LogP: 3.05370
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 274.0163496
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)OC(=O)C(C(=O)C)(Cl)Cl