BENZYL 2-NITROPHENYL ETHER

The Benzene, 1-nitro-2-(phenylmethoxy)-, with the CAS registry number 4560-41-2, is also known as Benzyl 2-nitrophenyl ether. It belongs to the product categories of Aromatics Compounds; Aromatics; Analytical/Chromatography; Ion Sensor Materials; Plasticizer for ISE. This chemical's molecular formula is C₁₃H₁₁NO₃ and molecular weight is 229.23. What's more, its systematic name is 1-(benzyloxy)-2-nitrobenzene.

Physical properties of Benzene, 1-nitro-2-(phenylmethoxy)- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.05 Å²; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 63.96 cm³; (9)Molar Volume: 185.9 cm³; (10)Polarizability: 25.35×10^-24cm³; (11)Surface Tension: 48.8 dyne/cm; (12)Density: 1.232 g/cm³; (13)Flash Point: 170.6 °C; (14)Enthalpy of Vaporization: 60.11 kJ/mol; (15)Boiling Point: 377.8 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-05 mmHg at 25°C.

Preparation of Benzene, 1-nitro-2-(phenylmethoxy)-: this chemical can be prepared by 1-fluoro-2-nitro-benzene and phenylmethanol at the temperature of 110 °C. This reaction will need reagents K₂CO₃, 4 Angstroem molecular sieves and solvent dimethylformamide with the reaction time of 24 hours. The yield is about 97%.

Uses of Benzene, 1-nitro-2-(phenylmethoxy)-: it can be used to produce 2-benzyloxy-aniline at the temperature of 5 °C. It will need reagents conc. HCl, Zn powder and solvents H₂O, acetic acid with the reaction time of 5 hours. The yield is about 76.9%.

When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccccc2OCc1ccccc1
(2)InChI: InChI=1S/C13H11NO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2
(3)InChIKey: ZYWSXGRMDPBISP-UHFFFAOYSA-N