2,6-DICHLORO-3-NITROBENZONITRILE

The 2,6-Dichloro-3-nitrobenzonitrile with its cas register number is 5866-98-8. It also can be called as 2,6-Dichloro-3-nitrobenzenecarbonitrile and the Systematic name about this chemical is 2,6-dichloro-3-nitrobenzonitrile. It belongs to the Aromatic Nitriles.

Physical properties about 2,6-Dichloro-3-nitrobenzonitrile are: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.47; (5)ACD/BCF (pH 7.4): 25.47; (6)ACD/KOC (pH 5.5): 353.22; (7)ACD/KOC (pH 7.4): 353.22; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 69.61Ų; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 47 cm³; (13)Molar Volume: 134.5 cm³; (14)Polarizability: 18.63x10^-24cm³; (15)Surface Tension: 66.6 dyne/cm; (16)Enthalpy of Vaporization: 58.54 kJ/mol; (17)Vapour Pressure: 7.9E-05 mmHg at 25°C.

Uses of 2,6-Dichloro-3-nitrobenzonitrile: it can be used to produce sodium; (3-chloro-2-cyano-6-nitro-phenylamino)-acetate with glycine sodium salt at temperature of 70 ℃. It will need reagent dimethylformamide with reaction time of 48 hour(s). The yield is about 44%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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#Cc1c(Cl)ccc([N+]([O-])=O)c1Cl
(2)InChI: InChI=1/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H d
(3)InChIKey: NSKVWZIEYFSHIM-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
(5)Std. InChIKey: NSKVWZIEYFSHIM-UHFFFAOYSA-N