2,4-Dichlorobenzonitrile

This chemical is called Benzonitrile, 2,4-dichloro-, and its systematic name is 2,4-dichlorobenzonitrile. With the molecular formula of C₇H₃Cl₂N, its CAS registry number of this chemical is 6574-98-7. Additionally, its product categories are Chlorobenzene Series; Fine Chemical & Intermediates; Boron, Nitrile, Thio,& TM-Cpds; Halides; Aromatic Nitriles.

Other characteristics of the Benzonitrile, 2,4-dichloro- can be summarised as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.95; (6)ACD/BCF (pH 7.4): 74.95; (7)ACD/KOC (pH 5.5): 764.85; (8)ACD/KOC (pH 7.4): 764.85; (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^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 113.4 °C; (20)Enthalpy of Vaporization: 49.82 kJ/mol; (21)Boiling Point: 260.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0122 mmHg at 25°C.

Production method of this chemical: The Benzonitrile, 2,4-dichloro- could be obtained by the reactant of 2,4-dichloro-benzamide. This reaction needs the reagent of thionyl chloride.

Uses of this chemical: The Benzonitrile, 2,4-dichloro- could react with 2,2,2-trifluoro-ethanol; sodium salt, and obtain the 2,4-di-(2,2,2-trifluoroethoxy)benzonitrile. This reaction needs the solvent of hexamethylphosphoric acid triamide. The yield is 85 %. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccc(Cl)cc1Cl
2.InChI: InChI=1/C7H3Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
3.InChIKey: GRUHREVRSOOQJG-UHFFFAOYAP