Isopropyl 2-chloroacetoacetate

Base Information

• Chemical Name: Isopropyl 2-chloroacetoacetate
• CAS No.: 70697-72-2
• Molecular Formula: C₇H₁₁ClO₃
• Molecular Weight: 178.616
• European Community (EC) Number: 274-781-3
• DSSTox Substance ID: DTXSID10990948
• Nikkaji Number: J288.773H
• Mol file: 70697-72-2.mol

Synonyms:Isopropyl 2-chloroacetoacetate;70697-72-2;propan-2-yl 2-chloro-3-oxobutanoate;EINECS 274-781-3;Butanoic acid, 2-chloro-3-oxo-, 1-methylethyl ester;SCHEMBL10808355;DTXSID10990948;FT-0705777;2-Chloro-3-oxobutanoic acid 1-methylethyl ester

Chemical Property of Isopropyl 2-chloroacetoacetate

Chemical Property:

• Vapor Pressure: 0.268mmHg at 25°C
• Boiling Point: 204.1°C at 760 mmHg
• Flash Point: 76.6°C
• PSA: 43.37000
• Density: 1.138g/cm³
• LogP: 1.13440
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.0396719
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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