Phenyl 2-chloroacetoacetate

Base Information

• Chemical Name: Phenyl 2-chloroacetoacetate
• CAS No.: 85153-61-3
• Molecular Formula: C10H9ClO3
• Molecular Weight: 212.62966
• European Community (EC) Number: 285-843-4
• DSSTox Substance ID: DTXSID001005590
• Nikkaji Number: J309.846J
• Mol file: 85153-61-3.mol

Synonyms:Phenyl 2-chloroacetoacetate;85153-61-3;EINECS 285-843-4;phenyl 2-chloro-3-oxobutanoate;DTXSID001005590;2-Chloro-3-oxobutanoic acid phenyl ester;Butanoic acid, 2-chloro-3-oxo-, phenyl ester

Chemical Property of Phenyl 2-chloroacetoacetate

Chemical Property:

• Vapor Pressure: 0.00109mmHg at 25°C
• Boiling Point: 300.8°C at 760 mmHg
• PKA: 6.96±0.46(Predicted)
• Flash Point: 126.6°C
• PSA: 43.37000
• Density: 1.258g/cm³
• LogP: 1.78840
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.0240218
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)OC1=CC=CC=C1)Cl