1,2-PHENYLENE PHOSPHOROCHLORIDATE

The 1,3,2-Benzodioxaphosphole,2-chloro-, 2-oxide, with the CAS registry number 1499-17-8, is also known as 1,2-Phenylene phosphorochloridate. Its EINECS number is 216-106-7. This chemical's molecular formula is C₆H₄ClO₃P and molecular weight is 190.52. What's more, its systematic name is 2-Chloro-1,3,2-benzodioxaphosphole 2-oxide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place at the ambient temperature. What's more, it should be protected from moisture and light.

Physical properties of 1,3,2-Benzodioxaphosphole,2-chloro-, 2-oxide are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 45.34 Å²; (5)Index of Refraction: 1.571; (6)Molar Refractivity: 39.75 cm³; (7)Molar Volume: 120.9 cm³; (8)Polarizability: 15.76×10^-24cm³; (9)Surface Tension: 50.9 dyne/cm; (10)Density: 1.57 g/cm³; (11)Flash Point: 114.6 °C; (12)Enthalpy of Vaporization: 47.16 kJ/mol; (13)Boiling Point: 254 °C at 760 mmHg; (14)Vapour Pressure: 0.0282 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2,2-trichloro-2λ⁵-benzo[1,3,2]dioxaphosphole at the temperature of 120 °C. This reaction will need reagent N,N-bis(trimethylsilyl)benzenesulfonamide with the reaction time of 1.5 hours. The yield is about 70%.

Uses of 1,3,2-Benzodioxaphosphole,2-chloro-, 2-oxide: it can be used to produce diphenyl-phosphinic acid 2-hydroxy-phenyl ester at the ambient temperature. It will need solvents diethyl ether and CH₂Cl₂ with the reaction time of 30 min. The yield is about 72%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: ClP1(=O)Oc2ccccc2O1
(2)InChI: InChI=1S/C6H4ClO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H
(3)InChIKey: KMWSGKPLIWNTEF-UHFFFAOYSA-N