2,3-DIMETHYL-6-NITROANILINE

This chemical is called 2,3-Dimethyl-6-nitroaniline, and it can also be named as Benzenamine, 2,3-dimethyl-6-nitro-. With the molecular formula of C₈H₁₀N₂O₂, its molecular weight is 166.18. The CAS registry number of this chemical is 59146-96-2.

Other characteristics of the 2,3-Dimethyl-6-nitroaniline can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.46; (6)ACD/BCF (pH 7.4): 72.46; (7)ACD/KOC (pH 5.5): 746.59; (8)ACD/KOC (pH 7.4): 746.59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 46.68 cm³; (15)Molar Volume: 136.1 cm³; (16)Polarizability: 18.5×10^-24cm³; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 156 °C; (20)Enthalpy of Vaporization: 57.73 kJ/mol; (21)Boiling Point: 334.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000129 mmHg at 25°C.

Production method of this chemical: The 2,3-Dimethyl-6-nitroaniline could be obtained by the reactant of acetic acid-(2,3-dimethyl-anilide). This reaction needs the reagents of glacial acetic acid, 96 percent sulfuric acid, 98 percent salpetre acid. The yield is 53.8 %. In addition, this reaction should be taken for 120 minutes at the temperature of 15-16 °C.

Uses of this chemical: The 4-bromo-2,3-dimethyl-6-nitroaniline could be obtained by the reactant of 2,3-Dimethyl-6-nitroaniline. This reaction needs the reagent of pyridinium bromide perbromide, AcOH. The yield is 95 %. This reaction should be taken at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when 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: [O-][N+](=O)c1ccc(c(c1N)C)C
2.InChI: InChI=1/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3
3.InChIKey: YEFYPFWBLCARLC-UHFFFAOYAS