2-Nitrophenyl phenyl sulfone

The Benzene,1-nitro-2-(phenylsulfonyl)-, with the CAS registry number 31515-43-2, is also known as 2-Nitrophenyl phenyl sulfone. It belongs to the product categories of Organic Building Blocks; Sulfones; Sulfur Compounds. Its EINECS number is 250-672-6. This chemical's molecular formula is C₁₂H₉NO₄S and formula weight is 263.27. What's more, its IUPAC name is 1-(benzenesulfonyl)-2-nitrobenzene. 

Physical properties of Benzene,1-nitro-2-(phenylthio)- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 50.95; (4)ACD/KOC (pH 5.5): 580.22; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 88.34 Å²; (9)Index of Refraction: 1.616; (10)Molar Refractivity: 66.31 cm³; (11)Molar Volume: 189.6 cm³; (12)Surface Tension: 54 dyne/cm; (13)Density: 1.388 g/cm³; (14)Flash Point: 233.4 °C; (15)Enthalpy of Vaporization: 69.56 kJ/mol; (16)Boiling Point: 462.3 °C at 760 mmHg; (17)Vapour Pressure: 2.75E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-nitro-2-phenylsulfanyl-benzene by heating. This reaction will need reagent urea, H₂O₂, TFAA and solvent acetonitrile with the reaction time of 3.5 hours. The yield is about 92%.

Uses of Benzene,1-nitro-2-(phenylsulfonyl)-: it can be used to produce 1-nitro-2-phenylsulfanyl-benzene at the temperature of 120°C. It will need solvent dimethylsulphoxide with the reaction time of 3 hours. The yield is about 100%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
(2)InChI: InChI=1S/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H
(3)InChIKey: GKNMUCPEXSCGKC-UHFFFAOYSA-N