4-CHLOROPHENYL PHOSPHORODICHLORIDATE

The Phosphorodichloridicacid, 4-chlorophenyl ester, with the CAS registry number 772-79-2 and EINECS registry number 212-254-1, has the systematic name of 4-chlorophenyl phosphorodichloridate. It is a kind of clear colorless liquid, and belongs to the following product categories: Biochemistry; Nucleosides, Nucleotides & Related Reagents; Phosphorylating and Phosphorothioating Agents; Phosphorylation; Protecting Agents, Phosphorylating Agents & Condensing Agents; Synthetic Organic Chemistry. And the molecular formula of the chemical is C₆H₄Cl₃O₂P.

The characteristics of Phosphorodichloridicacid, 4-chlorophenyl ester are as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.42; (6)ACD/BCF (pH 7.4): 186.42; (7)ACD/KOC (pH 5.5): 1468.33; (8)ACD/KOC (pH 7.4): 1468.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.11Ų; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 49.76 cm³; (15)Molar Volume: 155.7 cm³; (16)Polarizability: 19.72×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.575 g/cm³; (19)Flash Point: 151.3 °C; (20)Enthalpy of Vaporization: 50.03 kJ/mol; (21)Boiling Point: 282.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00576 mmHg at 25°C.

Uses of Phosphorodichloridicacid, 4-chlorophenyl ester: It can react with oxazolidin-2-one to produce bis-(2-oxo-oxazolidin-3-yl)-phosφnic acid 4-chloro-phenyl ester. This reaction will need reagent triethylamine, and the yield is about 75%.

You should be cautious while dealing with this chemical. It Reacts violently with water, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; If in case of contacting 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).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(OP(Cl)(Cl)=O)cc1
(2)InChI: InChI=1/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
(3)InChIKey: CCZMQYGSXWZFKI-UHFFFAOYAR