3,5-Difluoronitrobenzene

The CAS register number of 3,5-Difluoronitrobenzene is 2265-94-3. It also can be called as Benzene, 1,3-difluoro-5-nitro- and the IUPAC name about this chemical is 1,3-difluoro-5-nitrobenzene. The molecular formula about this chemical is C₆H₃F₂NO₂ and the molecular weight is 159.09. It belongs to the following product categories, such as Halide; Halides; Aromatic Halides (substituted); Miscellaneous; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks and so on. This chemical can be used as intermediate of medical and pesticide. This chemical is stable and combustible, it incompatible with strong oxidizing agents, strong bases.

Physical properties about 3,5-Difluoronitrobenzene are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 1.89; (4)ACD/BCF (pH 5.5): 16.06; (5)ACD/BCF (pH 7.4): 16.06; (6)ACD/KOC (pH 5.5): 253.95; (7)ACD/KOC (pH 7.4): 253.95; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Ų; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 32.78 cm³; (13)Molar Volume: 109.6 cm³; (14)Polarizability: 12.99x10^-24cm³; (15)Surface Tension: 40.6 dyne/cm; (16)Enthalpy of Vaporization: 39.59 kJ/mol; (17)Boiling Point: 176.5 °C at 760 mmHg; (18)Vapour Pressure: 1.47 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3,5-trinitro-benzene. This reaction will need reagent KF, phthaloyl dichloride and solvent tetrahydrothiophene 1,1-dioxide. The reaction time is 12 hour(s) with reaction temperature of 180 ℃. The yield is about 70%.

Uses of 3,5-Difluoronitrobenzene: it can be used to produce 3,5-difluoro-4-(trimethylsilyl)nitrobenzene with chloro-trimethyl-silane at temperature of -78 ℃. This reaction will need reagent NaHMDS and solvent tetrahydrofuran. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)cc(F)c1
(2)InChI: InChI=1/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
(3)InChIKey: AUQBBDWDLJSKMI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
(5)Std. InChIKey: AUQBBDWDLJSKMI-UHFFFAOYSA-N