5-NITRO-6-METHYL (1H)INDAZOLE

The 6-Methyl-5-nitro-1H-indazole, with the CAS registry number 81115-43-7, is also known as 6-Methyl-5-nitro-1(2)H-indazole. This chemical's molecular formula is C₈H₇N₃O₂ and molecular weight is 177.16. What's more, its systematic name is called 6-Methyl-5-nitro-1H-indazole. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 6-Methyl-5-nitro-1H-indazole are: (1) ACD/LogP: 2.49; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.49; (4) ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 45.97; (6) ACD/BCF (pH 7.4): 45.97; (7) ACD/KOC (pH 5.5): 539.01; (8) ACD/KOC (pH 7.4): 539.01; (9) #H bond acceptors: 5; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 63.64 Å²; (13) Index of Refraction: 1.707; (14) Molar Refractivity: 47.99 cm³; (15) Molar Volume: 123.2 cm³; (16) Surface Tension: 71.2 dyne/cm; (17) Density: 1.437 g/cm³; (18) Flash Point: 183.4 °C; (19) Enthalpy of Vaporization: 60.31 kJ/mol; (20) Boiling Point: 379.7 °C at 760 mmHg; (21) Vapour Pressure: 1.26E-05 mmHg at 25 °C; (22) Melting Point: 227-230 °C.

Uses of 6-Methyl-5-nitro-1H-indazole: it is used to produce other chemicals. For example, it is used to produce 6-Methyl-1(2)H-indazol-5-ylamine.

This reaction needs reagent FeSO₄, 25 percent aq. NH₃ and solvent Ethanol, H₂O at temperature of 80 °C. The reaction time is 12 hours. The yield is 75 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc2c(cc1C)nnc2
(2) InChI: InChI=1/C8H7N3O2/c1-5-2-7-6(4-9-10-7)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
(3) InChIKey: JNIDNZRLKGLAOP-UHFFFAOYAA