CAS No.72521-00-7,6-NITRO-5-METHYL (1H)INDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72521-00-7
Name:	6-NITRO-5-METHYL (1H)INDAZOLE

Formula:	C₈H₇N₃O₂
Molecular Weight:	177.16008
Synonyms:	5-Methyl-6-nitro-1H-indazole;5-Methyl-6-nitroindazole;1H-indazole, 5-methyl-6-nitro-;
Density:	1.437 g/cm³
Boiling Point:	379.7 °C at 760 mmHg
Flash Point:	183.4 °C
PSA:	74.50000
LogP:	2.30270

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Specification

The 5-methyl-6-nitroindazole, with the CAS registry number 72521-00-7, has the systematic name of 5-methyl-6-nitro-1H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₇N₃O₂.

The characteristics of 5-methyl-6-nitroindazole are as followings: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.45; (6)ACD/BCF (pH 7.4): 48.44; (7)ACD/KOC (pH 5.5): 559.66; (8)ACD/KOC (pH 7.4): 559.59; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.5 Å²; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 47.99 cm³; (15)Molar Volume: 123.2 cm³; (16)Polarizability: 19.02×10^-24cm³; (17)Surface Tension: 71.2 dyne/cm; (18)Density: 1.437 g/cm³; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 60.31 kJ/mol; (21)Boiling Point: 379.7 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2nncc2cc1C
(2)InChI: InChI=1/C8H7N3O2/c1-5-2-6-4-9-10-7(6)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
(3)InChIKey: AZWAXIMNWVYSMP-UHFFFAOYAG