2,3,5,6-tetramethyl-4-nitroaniline

The Benzenamine,2,3,5,6-tetramethyl-4-nitro-, with the CAS registry number 13171-61-4, is also known as Tetramethyl-p-nitroaniline. This chemical's molecular formula is C₁₀H₁₄N₂O₂ and molecular weight is 194.23. What's more, its systematic name is 2,3,5,6-tetramethyl-4-nitroaniline.

Physical properties of Benzenamine,2,3,5,6-tetramethyl-4-nitro- are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 167.89; (6)ACD/BCF (pH 7.4): 167.89; (7)ACD/KOC (pH 5.5): 1362.3; (8)ACD/KOC (pH 7.4): 1362.35; (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: 1.582; (14)Molar Refractivity: 56.33 cm³; (15)Molar Volume: 168.6 cm³; (16)Polarizability: 22.33×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.151 g/cm³; (19)Flash Point: 177.5 °C; (20)Enthalpy of Vaporization: 61.68 kJ/mol; (21)Boiling Point: 369.9 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-05 mmHg at 25°C.

Preparation of Benzenamine,2,3,5,6-tetramethyl-4-nitro-: this chemical can be prepared by 1,2,4,5-tetramethyl-3,6-dinitro-benzene at the temperature of 50 °C. This reaction will need reagent sodium telluride(tellurium, Rongalite, 1M-NaOH) and solvents H₂O, dioxane with the reaction time of 3 hours. The yield is about 89%.

Uses of Benzenamine,2,3,5,6-tetramethyl-4-nitro-: it can be used to produce 1-(2,3,5,6-tetramethyl-4-nitro-phenyl)-1H-pyrrole by heating. It will need reagent glacial AcOH with the reaction time of 1 hour. The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C(=C1N)C)C)[N+](=O)[O-])C
(2)InChI: InChI=1S/C10H14N2O2/c1-5-7(3)10(12(13)14)8(4)6(2)9(5)11/h11H2,1-4H3
(3)InChIKey: HALLPDRKHGFBAB-UHFFFAOYSA-N