2-(DIFLUOROMETHOXY)NITROBENZENE

The Benzene,1-(difluoromethoxy)-2-nitro-, with CAS registry number 22225-77-0, has the systematic name of 1-(difluoromethoxy)-2-nitro-benzene. Besides this, it is also called 2-(Difluoromethoxy)nitrobenzene. And the chemical formula of this chemical is C₇H₅F₂NO₃.

Physical properties of Benzene,1-(difluoromethoxy)-2-nitro-: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.159; (4)ACD/LogD (pH 7.4): 2.159; (5)ACD/BCF (pH 5.5): 25.762; (6)ACD/BCF (pH 7.4): 25.762; (7)ACD/KOC (pH 5.5): 356.122; (8)ACD/KOC (pH 7.4): 356.122; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 39.763 cm³; (15)Molar Volume: 136.549 cm³; (16)Polarizability: 15.763×10^-24cm³; (17)Surface Tension: 36.585 dyne/cm; (18)Density: 1.385 g/cm³; (19)Flash Point: 104.648 °C; (20)Enthalpy of Vaporization: 46.696 kJ/mol; (21)Boiling Point: 249.424 °C at 760 mmHg; (22)Vapour Pressure: 0.036 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-phenol and chloro-difluoro-methane. This reaction will need reagent aq. NaOH and solvent tetrahydrofuran. The reaction time is 24 hour(s). The yield is about 70%.

Uses of Benzene,1-(difluoromethoxy)-2-nitro-: it can be used to produce 2-difluoromethoxyaniline. This reaction will need reagent H₂ and solvents ethanol, H₂O. The reaction temperature is 20 min. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(difluoromethoxy)-2-nitro- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. And do not breathe vapour.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)[N+](=O)[O-])OC(F)F
(2)InChI: InChI=1/C7H5F2NO3/c8-7(9)13-6-4-2-1-3-5(6)10(11)12/h1-4,7H
(3)InChIKey: VICWTNGFGCVEHT-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H5F2NO3/c8-7(9)13-6-4-2-1-3-5(6)10(11)12/h1-4,7H
(5)Std. InChIKey: VICWTNGFGCVEHT-UHFFFAOYSA-N