2-CHLORO-6-NITROBENZONITRILE

The CAS register number of 6-Chloro-2-nitrobenzonitrile is 6575-07-1. It also can be called as benzonitrile, 2-chloro-6-nitro- and the systematic name about this chemical is 2-chloro-6-nitrobenzonitrile.

Physical properties about 6-Chloro-2-nitrobenzonitrile are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.17; (6)ACD/BCF (pH 7.4): 19.17; (7)ACD/KOC (pH 5.5): 288.26; (8)ACD/KOC (pH 7.4): 288.26; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.61Ų; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 42.18 cm³; (15)Molar Volume: 123.4 cm³; (16)Surface Tension: 62.6 dyne/cm; (17)Density: 1.47 g/cm³; (18)Flash Point: 155.5 °C; (19)Enthalpy of Vaporization: 57.63 kJ/mol; (20)Boiling Point: 333.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000136 mmHg at 25°C.

Uses of 6-Chloro-2-nitrobenzonitrile: It reacts to get 2-chloro-6-fluorobenzonitrile. This reaction needs reagent KF at temperature of 82°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable gloves and eye/face protection and suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: N#Cc1c(cccc1Cl)[N+]([O-])=O
2.InChI: InChI=1/C7H3ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H 
3.InChIKey: ZHLCARBDIRRRHD-UHFFFAOYAI
4.Std. InChI: InChI=1S/C7H3ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H