(2H5)ethylphosphonoyl dichloride

• ChemBase ID: 168709
• Molecular Formular: C2H5Cl2OP
• Molecular Mass: 146.940261
• Monoisotopic Mass: 145.94550677
• SMILES: O=P(CC)(Cl)Cl
• Canonical SMILES: CCP(=O)(Cl)Cl
• InChI: InChI=1S/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3
• InChIKey: OWGJXSYVHQEVHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethylphosphonoyl dichloride
• IUPAC Traditional name: (^2H₅)ethylphosphonoyl dichloride
• Synonyms: Ethyl-d5-phosphonic Acid Dichloride; Ethyl-d5-phosphonyl Dichloride; Dichloro(ethyl-d5)phosphine Oxide; Ethyl-d5-phosphonic Dichloride

Database IDs

• PubChem SID: 162262841
• PubChem CID: 71316652

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1186616
• LogD (pH = 7.4): 1.1186616
• Log P: 1.1186616
• Molar Refractivity: 29.1938 cm^3
• Polarizability: 11.655576 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - E925392

A labelled organophosphorus compound. It is used in the preparation of cellulose phosphinates as fireproofing agents.

REFERENCES

• Yurchenko, V.M. et al.: Koks. Kim., 4, 37 (1980)
• Kiselev, A.D. et al.: Zhur. Prik. Khim., 46, 909 (1980)