2-CHLOROPHENYL PHOSPHORODICHLORIDATE

The Phosphorodichloridicacid, 2-chlorophenyl ester is an organic compound with the formula C₆H₄Cl₃O₂P. The IUPAC name of this chemical is 1-Chloro-2-dichlorophosphoryloxybenzene. With the CAS registry number 15074-54-1, it is also named as 2-Chlorophenyl dichlorophosphate. The product's categories are Biochemistry; Nucleosides, Nucleotides and Related Reagents; Phosphorylating and Phosphorothioating Agents; Phosphorylation; Protecting Agents, Phosphorylating Agents and Condensing Agents; Synthetic Organic Chemistry. Besides, it is colorless liquid, which should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about Phosphorodichloridicacid, 2-chlorophenyl ester are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3.02; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 115.61; (5)ACD/BCF (pH 7.4): 115.61; (6)ACD/KOC (pH 5.5): 1043.07; (7)ACD/KOC (pH 7.4): 1043.07; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 36.11 Å²; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 49.76 cm³; (13)Molar Volume: 155.7 cm³; (14)Polarizability: 19.72×10^-24 cm³; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.575 g/cm³; (17)Flash Point: 136 °C; (18)Enthalpy of Vaporization: 48.82 kJ/mol; (19)Boiling Point: 270.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0113 mmHg at 25 °C.

Preparation: this chemical can be prepared by Sodium 2-chlorophenolate. This reaction will need reagents tetra-butylammonium bromide (TBAHS); POCl₃ and solvent toluene. The reaction time is 1 hour. The yield is about 89%.

Uses of Phosphorodichloridicacid, 2-chlorophenyl ester: it can be used to produce 2-(2-Chloro-phenoxy)-octahydro-benzo[1,3,2]diazaphosphole 2-oxide at temperature of 40 - 50 °C. It will need reagent triethylamine and solvent benzene with reaction time of 5 hours. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H4Cl3O2P/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H
(2)InChIKey: VLDPXPPHXDGHEW-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C6H4Cl3O2P/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H
(4)Std. InChIKey: VLDPXPPHXDGHEW-UHFFFAOYSA-N