Basic information
- Name:
Phosphoric acid,bis(phenylmethyl) ester
- Superlist Name:
- Dibenzyl phosphate
- CAS No.:
1623-08-1
- Molecular Structure:
- Formula:
- C14H15O4P
- Molecular Weight:
- 278.24
- Synonyms:
- Dibenzyl hydrogen phosphate;Phosphoric acid, dibenzyl ester (8CI);Hydrogen diphenylmethyl phosphate;Dibenzylphosphoric acid;AC1L2LDM;AC1Q6SXV;CID74189;
- EINECS:
- 216-602-3
- Density:
- 1.28 g/cm3
- Melting Point:
- 76-80 °C
- Boiling Point:
- 427.6 °C at 760 mmHg
- Flash Point:
- 212.4 °C
- Solubility:
- Insoluble in water
- Appearance:
- White to slightly yellow powder
- Safety Description:
- 22-24/25 Details
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Specification
The Dibenzyl phosphate with CAS registry number of 1623-08-1 is also known as Hydrogen diphenylmethyl phosphate. The IUPAC name is Dibenzyl hydrogen phosphate. It belongs to product categories of Fluorobenzene; Heterocyclic Compounds; Benzenes; Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds. Its EINECS registry number is 216-602-3. In addition, the formula is C14H15O4P and the molecular weight is 278.24. During using it, do not breathe dust and avoid contact with skin and eyes. Besides, this chemical should be stored in sealed containers at the temperature of 2-8 °C away from oxidizing agents.
Physical properties about Dibenzyl phosphate are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 72.18 cm3; (14)Molar Volume: 217.3 cm3; (15)Surface Tension: 52.2 dyne/cm; (16)Density: 1.28 g/cm3; (17)Flash Point: 212.4 °C; (18)Enthalpy of Vaporization: 71.96 kJ/mol; (19)Boiling Point: 427.6 °C at 760 mmHg; (20)Vapour Pressure: 4.49E-08 mmHg at 25 °C.
Uses of Dibenzyl phosphate: it is used to produce 2-azido-2-deozy-a-D-galactopyranosyl 1-dibenzyl phosphate by reaction with 5-azido-2-hydroxymethyl-6-(3-methoxy-pyridin-2-yloxy)-tetrahydro-pyran-3,4-diol. The reaction occurs with reagent acetonitrile at ambient temperature of heating for 3 days. The yield is about 64%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2
2. InChI: InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
3. InChIKey: HDFFVHSMHLDSLO-UHFFFAOYSA-N