Product Name

  • Name

    Dibenzylphosphoryl chloride

  • EINECS
  • CAS No. 538-37-4
  • Article Data71
  • CAS DataBase
  • Density 1.283 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H14ClO3P
  • Boiling Point 428.2 °C at 760 mmHg
  • Molecular Weight 296.69
  • Flash Point 339.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 538-37-4 (Dibenzylphosphoryl chloride)
  • Hazard Symbols
  • Synonyms Benzylchlorophosphate, OP(OCH2Ph)2Cl (4CI);Benzyl phosphorochloridate (6CI,7CI);Phosphorochloridic acid, dibenzyl ester (8CI);Bis(phenylmethyl)phosphorochloridate;DBPCl;Dibenzyl chlorophosphate;Dibenzylphosphorochloridate;Dibenzylphosphoryl chloride;
  • PSA 45.34000
  • LogP 4.76690

Dibenzylphosphoryl chloride Specification

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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