(4-Chlorophenyl)(Dimethoxyphosphinyl)Methyl Phosphoric Acid Dimethyl Ester
[CAS# 76541-72-5]

Identification

• Name: (4-Chlorophenyl)(Dimethoxyphosphinyl)Methyl Phosphoric Acid Dimethyl Ester
• Synonyms: [(4-Chlorophenyl)-Dimethoxyphosphoryl-Methyl] Dimethyl Phosphate; Phosphoric Acid [(4-Chlorophenyl)-Dimethoxyphosphorylmethyl] Dimethyl Ester; Phosphoric Acid [(4-Chlorophenyl)-Dimethoxyphosphoryl-Methyl] Dimethyl Ester
• Molecular Formula: C₁₁H₁₇ClO₇P₂
• Molecular Weight: 358.65
• CAS Registry Number: 76541-72-5
• SMILES: C1=C(C([P](OC)(OC)=O)O[P](OC)(OC)=O)C=CC(=C1)Cl
• InChI: 1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3
• InChIKey: VQHUQHAPWMNBLP-UHFFFAOYSA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 436.619°C at 760 mmHg (Cal.)
• Flash point: 350.8°C (Cal.)
• solubility: Soluble to 100 mM in water

References

• (1): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57