3-(Difluoromethoxy)benzonitrile

The systematic name of this chemical is 3-(difluoromethoxy)benzonitrile. With the CAS registry number 97582-88-2, it is also named as Benzonitrile, 3-(difluoromethoxy)-. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3-(Difluoromethoxy)benzonitrile can be summarized as: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.18; (6)ACD/BCF (pH 7.4): 10.18; (7)ACD/KOC (pH 5.5): 183.27; (8)ACD/KOC (pH 7.4): 183.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 37.9 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 15.02×10^-24 cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 84.5 °C; (20)Enthalpy of Vaporization: 45.25 kJ/mol; (21)Boiling Point: 216.2 °C at 760 mmHg; (22)Vapour Pressure: 0.142 mmHg at 25°C.

Preparation of 3-(Difluoromethoxy)benzonitrile: It can be obtained by 3-difluoromethoxy-benzaldehyde oxime. This reaction needs reagent N,N'-carbonyldiimidazole and solvent tetrahydrofuran at ambient temperature. The yield is 93%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:FC(F)Oc1cc(C#N)ccc1
2. InChI:InChI=1/C8H5F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H 
3. InChIKey:JCBOPIBHZFBHQW-UHFFFAOYAY