The Phosphorochloridicacid, bis(phenylmethyl) ester, with the CAS registry number 538-37-4, is also known as Dibenzylphosphorylchloride. It belongs to the product categories of Phospholipids - 13C & 2H; Phosphorylating and Phosphitylating Agents. This chemical's molecular formula is C14H14ClO3P and molecular weight is 264.687121. Its IUPAC name is called [benzyl(chloro)phosphoryl]methylbenzene.
Physical properties of Phosphorochloridicacid, bis(phenylmethyl) ester: (1)ACD/LogP: 3.70 ; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 6; (4)Index of Refraction: 1.566; (5)Molar Refractivity: 75.5 cm3; (6)Molar Volume: 231.2 cm3; (7)Surface Tension: 47.1 dyne/cm; (8)Density: 1.283 g/cm3; (9)Flash Point: 339.9 °C; (10)Enthalpy of Vaporization: 65.69 kJ/mol; (11)Boiling Point: 428.2 °C at 760 mmHg; (12)Vapour Pressure: 3.85E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by phosphonic acid dibenzyl ester. This reaction will need reagent SO2Cl2 and solvent CCl4. The reaction time is 1 hour with reaction temperature of 20 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)Cl
(2)InChI: InChI=1S/C14H14ClOP/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
(3)InChIKey: SMVXYBYTGKEHCS-UHFFFAOYSA-N
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