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3-Methyl-6-nitroindazole

CAS No.6494-19-5
Chemical Name:3-Methyl-6-nitroindazole
CBNumber:CB0855330
Molecular Formula:C8H7N3O2
Formula Weight:177.16
MOL File:6494-19-5.mol

3-Methyl-6-nitroindazole Property

Melting point 187-188°C
Boiling point 384.9±22.0 °C(Predicted)
Density 1.437
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), Methanol (Slightly)
form Solid
pka 11.47±0.40(Predicted)
color Beige to Dark Yellow
InChI InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10)
InChIKey FUNWSYKLFDLUIZ-UHFFFAOYSA-N
SMILES N1C2=C(C=CC([N+]([O-])=O)=C2)C(C)=N1
CAS DataBase Reference 6494-19-5

Safety

Risk Statements :20/21/22
Safety Statements :24/25-36/37
HS Code :29339900

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H302+H312+H332-H315-H319
Precautionary statements P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312

3-Methyl-6-nitroindazole Price More Price(2)

Brand: TCI Chemicals (India)
Product number: M2358
Product name : 3-Methyl-6-nitroindazole
Purity: min. 98.0 %
Packaging: 5G
Price: ₹5000
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: M2358
Product name : 3-Methyl-6-nitroindazole
Purity: min. 98.0 %
Packaging: 25G
Price: ₹9400
Updated: 2022/05/26
Buy: Buy

3-Methyl-6-nitroindazole Chemical Properties,Usage,Production

Description 3-Methyl-6-nitroindazole is an important organic reagent or pharmaceutical intermediate compound used in the preparation of key intermediates of pazopanib. In experimental studies, it is mostly used for solubility determination, correlation and molecular interaction analysis studies in different pure and mixed solvents. The results showed that in the temperature range of (278.15 ~ 328.15)K, the molar fraction solubility of 3-Methyl-6-nitroindazole increased with increasing temperature in both pure and mixed solvent systems, and was maximum in pure N, N-dimethylformamide and minimum in water.
Chemical Properties Brown solid
Uses 3-Methyl-6-nitroindazole a reactant used in the preparation of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.
References [1] Li, Wanxin et al. “3-Methyl-6-nitroindazole in some aqueous co-solvent mixtures: Solubility determination, preferential solvation and solvent effect analysis.” The Journal of Chemical Thermodynamics 34 1 (2020): 0.
[2] Li Wang. “Solubility Measurement, Correlation, and Molecular Interactions of 3-Methyl-6-nitroindazole in Different Neat Solvents and Mixed Solvents from T = 278.15 to 328.15 K.” Journal of Chemical & Engineering Data 64 8 (2019): 3260–3269.
Physical properties 3-Methyl-6-nitroindazole, a slightly yellow to tawny powder with a molecular weight of 177.16, is one critical intermediate of Pazopanib. The chemical structure of 3-methyl-6-nitroindazole is shown below. Wang et al. measured the solubility of 3-methyl-6-nitroindazole in eight pure solvents [i.e., N, N-dimethylformamide (DMF), tetrahydrofuran (THF), acetone, ethyl acetate (EA), ethanol, acetonitrile, n-propanol, water] and three mixed solvents (DMF + water, THF + cyclohexane, acetone + water) at temperatures T = 278.15 to 328.15 K and under atmosphere pressure. Whether in a pure solvent or a mixed system, the results show that mole fraction solubilities of 3-methyl-6-nitroindazole increased with increasing temperature. Among the three groups of mixed solvents measured, the molar fraction of 3-methyl-6-nitroindazole in the (DMF + water) system is the maximum[1-2].