2,3-Dichlorobenzonitrile (6574-97-6)

The IUPAC name of this chemical is 2,3-dichlorobenzonitrile. With the CAS registry number 6574-97-6, it is also named as Benzonitrile, 2,3-dichloro-. The product's categories are Aromatic Nitriles; Nitriles; C6 to C7; Cyanides / Nitriles; Nitrogen Compounds. It is white powder that the formula C₇H₃Cl₂N and molecular weight is 172.01.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.583; (7)Molar Refractivity: 40.97 cm³; (8)Molar Volume: 122.4 cm³; (9)Polarizability: 16.24×10^-24 cm³; (10)Surface Tension: 50.9 dyne/cm; (11)Flash Point: 108 °C; (12)Enthalpy of Vaporization: 49.05 kJ/mol; (13)Boiling Point: 253.1 °C at 760 mmHg; (14)Vapour Pressure: 0.0186 mmHg at 25°C; (15)Exact Mass: 170.964255; (16)MonoIsotopic Mass: 170.964255; (17)Topological Polar Surface Area: 23.8; (18)Heavy Atom Count: 10; (19)Complexity: 160.

Uses of 2,3-Dichlorobenzonitrile: It can react with (4-fluoro-phenyl)-acetonitrile to get 3-chloro-2-[cyano-(4-fluoro-phenyl)-methyl]-benzonitrile. This reaction needs reagent potassium tert-butoxide and solvent dimethylformamide at temperature of 20 °C. The reaction time is 1 hours. The yield is 73%.

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. So people should not breathe dust. 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. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1c(C#N)cccc1Cl
2. InChI:InChI=1/C7H3Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
3. InChIKey:OHDYZVVLNPXKDX-UHFFFAOYAE