2-CHLORO-4-FLUOROBENZONITRILE (60702-69-4)

The IUPAC name of this chemical is 2-chloro-4-fluorobenzonitrile. With the CAS registry number 60702-69-4, it is also named as Benzonitrile, 2-chloro-4-fluoro-. The product's categories are Aromatic Nitriles; Benzene Series; Nitrile; Chlorine Compounds; Fluorine Compounds; Nitriles; C6 to C7; Cyanides / Nitriles; Nitrogen Compounds. It is semi-transparent crystalline chunks which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.14; (6)ACD/BCF (pH 7.4): 14.14; (7)ACD/KOC (pH 5.5): 231.84; (8)ACD/KOC (pH 7.4): 231.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 36.26 cm³; (14)Molar Volume: 116.1 cm³; (15)Polarizability: 14.37×10^-24 cm³; (16)Surface Tension: 43 dyne/cm; (17)Enthalpy of Vaporization: 47.01 kJ/mol; (18)Vapour Pressure: 0.056 mmHg at 25°C; (19)Exact Mass: 154.993805; (20)MonoIsotopic Mass: 154.993805; (21)Topological Polar Surface Area: 23.8; (22)Heavy Atom Count: 10; (23)Complexity: 162.

Uses of 2-Chloro-4-fluorobenzonitrile: It is used as intermediate of pharmaceuticals, pesticides and liquid crystal materials. And it also can react with ethane-1,2-diamine to get 2-(2-chloro-4-fluoro-phenyl)-4,5-dihydro-1H-imidazole. This reaction needs reagent P₂S₅ by heating. The yield is 40%. 

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:N#Cc1ccc(F)cc1Cl
2. InChI:InChI=1/C7H3ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
3. InChIKey:PGKPNNMOFHNZJX-UHFFFAOYAT