2,2,2-Trichloro-1-phenylethyl isobutyrate

Base Information

• Chemical Name: 2,2,2-Trichloro-1-phenylethyl isobutyrate
• CAS No.: 72929-02-3
• Molecular Formula: C12H13Cl3O2
• Molecular Weight: 295.5894
• European Community (EC) Number: 277-100-8
• DSSTox Substance ID: DTXSID60868209
• Nikkaji Number: J296.419H
• Mol file: 72929-02-3.mol

Synonyms:72929-02-3;2,2,2-Trichloro-1-phenylethyl isobutyrate;alpha-(Trichloromethyl)benzylisobutyrate;EINECS 277-100-8;Propanoic acid, 2-methyl-, 2,2,2-trichloro-1-phenylethyl ester;C12H13Cl3O2;DTXSID60868209;2-Methylpropanoic acid 2,2,2-trichloro-1-phenylethyl ester

Chemical Property of 2,2,2-Trichloro-1-phenylethyl isobutyrate

Chemical Property:

• Vapor Pressure: 9.99E-06mmHg at 25°C
• Boiling Point: 371.9°Cat760mmHg
• Flash Point: 144.6°C
• PSA: 26.30000
• Density: 1.301g/cm³
• LogP: 4.29710
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 293.998113
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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