2,5-Dichlorobenzonitrile

The IUPAC name of this chemical is 2,5-dichlorobenzonitrile. With the CAS registry number 21663-61-6 and EINECS 244-518-7, it is also named as Benzonitrile, 2,5-dichloro-. The product's categories are Aromatic Nitriles; Chlorine Compounds; C6 to C7; Cyanides / Nitriles; Nitrogen Compounds. What's more, the formula is C₇H₃Cl₂N and the molecular weigth is 172.01. In addition, this chemical is used as new pesticide intermediate. Besides, it 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: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.59; (6)ACD/BCF (pH 7.4): 84.59; (7)ACD/KOC (pH 5.5): 834.06; (8)ACD/KOC (pH 7.4): 834.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 40.97 cm³; (15)Molar Volume: 122.4 cm³; (16)Polarizability: 16.24×10^-24 cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 103.9 °C; (20)Enthalpy of Vaporization: 48.48 kJ/mol; (21)Boiling Point: 247.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0254 mmHg at 25°C.

Uses of 2,5-Dichlorobenzonitrile: It can react with 2,2,2-trifluoro-ethanol to get 5-chloro-2-(2,2,2-trifluoroethoxy)nitrobenzene. This reaction needs reagent sodium hydride and solvent dimethylformamide at temperature of 150 °C. The reaction time is 15 hours. The yield is 63%.

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.

People can use the following data to convert to the molecule structure. 
1. SMILES:N#Cc1cc(Cl)ccc1Cl
2. InChI:InChI=1/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
3. InChIKey:LNGWRTKJZCBXGT-UHFFFAOYAM