4,5-Dimethyl-2-nitroaniline (6972-71-0)

The cas register number of 4,5-Dimethyl-2-nitroaniline is 6972-71-0. It also can be called as Benzenamine,4,5-dimethyl-2-nitro- and the IUPAC Name about this chemical is 4,5-dimethyl-2-nitroaniline. It belongs to the following product categories, such as Amines, C₈, Nitrogen Compounds and so on.

Physical properties about 4,5-Dimethyl-2-nitroaniline are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.75; (3)ACD/LogD (pH 7.4): 2.75; (4)ACD/BCF (pH 5.5): 72.46; (5)ACD/BCF (pH 7.4): 72.46; (6)ACD/KOC (pH 5.5): 746.58; (7)ACD/KOC (pH 7.4): 746.59; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 49.06Ų; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 46.68 cm³; (14)Molar Volume: 136.1 cm³; (15)Polarizability: 18.5x10^-24cm³; (16)Surface Tension: 51 dyne/cm; (17)Enthalpy of Vaporization: 57.88 kJ/mol; (18)Vapour Pressure: 0.000118 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid-(4,5-dimethyl-2-nitro-anilide). This reaction will need reagent methanol. sodium methylate.

Uses of 4,5-Dimethyl-2-nitroaniline: it can be used to produce 1,2-dimethyl-4-nitro-5-nitroso-benzene at Ambient temperature. This reaction will need reagent H₂SO₅. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is tirritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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)Canonical SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])N
(2)InChI: InChI=1S/C8H10N2O2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,9H2,1-2H3
(3)InChIKey: PINGKGKKUSYUAW-UHFFFAOYSA-N