2,6-Difluoro-3-nitrobenzonitrile

The Benzonitrile,2,6-difluoro-3-nitro- with the CAS number 143879-77-0 is also called 2,6-Difluoro-3-nitrobenzonitrile. Its molecular formula is C₇H₂F₂N₂O₂. This chemical belongs to the following product categories: (1)Blocks; (2)Carboxes; (3)Fluoro Compounds; (4)Nitro Compounds; (5)Aromatic Nitriles.

The properties of the Benzonitrile,2,6-difluoro-3-nitro- are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.36; (8)ACD/KOC (pH 7.4): 39.36; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.61 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 37.57 cm³; (15)Molar Volume: 121.8 cm³; (16)Polarizability: 14.89×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Enthalpy of Vaporization: 50.15 kJ/mol; (19)Vapour Pressure: 0.0101 mmHg at 25°C.

Uses: This chemical can prepare 3-amino-2,6-difluorobenzonitrile. This reaction needs reagent conc. hydrochloric acid, stannous chloride dihydrate and gl. acetic acid. The yield is 76%. This reaction needs the following conditions: (1)0 deg C, 30 min; (2)RT, 18 h.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(F)ccc([N+]([O-])=O)c1F
(2)InChI: InChI=1/C7H2F2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
(3)InChIKey: JQHDRFKDZHGEBQ-UHFFFAOYAQ