Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester, isobutyrate

Base Information

• Chemical Name: Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester, isobutyrate
• CAS No.: 4414-14-6
• Molecular Formula: C8H14Cl3O5P
• Molecular Weight: 327.53
• DSSTox Substance ID: DTXSID90963175
• Nikkaji Number: J41.083G
• Mol file: 4414-14-6.mol

Synonyms:BRN 1813428;4414-14-6;O,O-Dimethyl 2,2,2-trichloro-1-isobutyryloxyethyl phosphonate;ISOBUTYRIC ACID, ESTER with DIMETHYL (2,2,2-TRICHLORO-1-HYDROXYETHYL)PHOSPHONATE;Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester, isobutyrate;4-02-00-00851 (Beilstein Handbook Reference);DTXSID90963175;LS-84398;2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate;Isobutyric acid 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester

Chemical Property of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester, isobutyrate

Chemical Property:

• Vapor Pressure: 8.66E-06mmHg at 25°C
• Boiling Point: 373.9°C at 760 mmHg
• Flash Point: 269.7°C
• PSA: 71.64000
• Density: 1.388g/cm³
• LogP: 3.36780
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 325.964444
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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