Dimethyl benzylphosphonate

The Dimethyl benzylphosphonate, with CAS registry number 773-47-7, has the systematic name of dimethyl benzylphosphonate. And its IUPAC name is dimethoxyphosphorylmethylbenzene. The chemical formula of this chemical is C₉H₁₃O₃P.

Physical properties of Dimethyl benzylphosphonate: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.34 Å²; (7)Index of Refraction: 1.49; (8)Molar Refractivity: 50.79 cm³; (9)Molar Volume: 175.6 cm³; (10)Polarizability: 20.13×10^-24cm³; (11)Surface Tension: 37.6 dyne/cm; (12)Enthalpy of Vaporization: 51.03 kJ/mol; (13)Vapour Pressure: 0.00327 mmHg at 25°C.

Preparation: this chemical can be prepared by benzyl-phosphonic acid and methanol. This reaction will need reagents triphenylphosphine, diisopropyl azodicarboxylate and solvent tetrahydrofuran. The reaction time is 30 min. The yield is about 91%.

Uses of Dimethyl benzylphosphonate: it can be used to produce methyl benzylphosphonic chloride. This reaction will need reagent phosphorus pentachloride and solvent CCl₄. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
The Dimethyl benzylphosphonate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC)(OC)Cc1ccccc1
(2)InChI: InChI=1/C9H13O3P/c1-11-13(10,12-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
(3)InChIKey: QLNYTKJCHFEIDA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H13O3P/c1-11-13(10,12-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
(5)Std. InChIKey: QLNYTKJCHFEIDA-UHFFFAOYSA-N