CAS No.6850-23-3,1-METHYL-6-NITRO-1H-INDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6850-23-3
Name:	1-METHYL-6-NITRO-1H-INDAZOLE
Article Data:	32

Formula:	C₈H₇N₃O₂
Molecular Weight:	177.162
Synonyms:	1-Methyl-6-nitroindazole;NSC 131654;
Density:	1.42 g/cm³
Melting Point:	122-123 °C
Boiling Point:	332.9 °C at 760 mmHg
Flash Point:	155.1 °C
PSA:	63.64000
LogP:	2.00470

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Specification

The CAS register number of 1H-Indazole,1-methyl-6-nitro- is 6850-23-3. It also can be called as 1-Methyl-6-nitroindazole and the systematic name about this chemical is 1-methyl-6-nitro-1H-indazole. The molecular formula about this chemical is C₈H₇N₃O₂ and the molecular weight is 177.16.

Physical properties about 1H-Indazole,1-methyl-6-nitro- are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.86; (5)ACD/BCF (pH 7.4): 17.86; (6)ACD/KOC (pH 5.5): 274.03; (7)ACD/KOC (pH 7.4): 274.03; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.64 Å²; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 46.79 cm³; (13)Molar Volume: 124.2 cm³; (14)Polarizability: 18.55x10^-24cm³; (15)Surface Tension: 59.6 dyne/cm; (16)Density: 1.42 g/cm³; (17)Flash Point: 155.1 °C; (18)Enthalpy of Vaporization: 55.28 kJ/mol; (19)Boiling Point: 332.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000274 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)n(nc2)C
(2)InChI: InChI=1/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
(3)InChIKey: TUWHJYXETJCCPJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
(5)Std. InChIKey: TUWHJYXETJCCPJ-UHFFFAOYSA-N