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ChemicalBook--->CAS DataBase List--->444731-73-1

444731-73-1

444731-73-1 Structure

444731-73-1 Structure
IdentificationBack Directory
[Name]

2,3-DIMETHYL-6-NITRO-2H-INDAZOLE
[CAS]

444731-73-1
[Synonyms]

Pazopanib Impurity 19
3-Methly-6-nitroindazole
2,3-dimethyl-6-nitrobazole
2,3-Dimethyl-6-nitro-1H-i...
2,3-dimethyl-6-nitro-indazole
3-diMethyl-6-nitro-2H-indazole
2,3-DIMETHYL-6-NITRO-2H-INDAZOLE
2,3-dimethyl-6-nitro-1H-indazole
2H-Indazole, 2,3-diMethyl-6-nitro-
2,3-DIMETHYL-6-NITRO-2H-INDAZOLE ISO 9001:2015 REACH
[EINECS(EC#)]

610-189-7
[Molecular Formula]

C9H9N3O2
[MDL Number]

MFCD10703326
[MOL File]

444731-73-1.mol
[Molecular Weight]

191.19
Chemical PropertiesBack Directory
[Melting point ]

183-186°C
[Boiling point ]

377.0±22.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-0.55±0.30(Predicted)
[color ]

Yellow
Hazard InformationBack Directory
[Uses]

2,3-Dimethyl-6-nitro-2H-indazole is an impurity in the synthesis of Pazopanib (P210925) hydrochloride, an oral angiogenesis inhibitor targeting VEGFR and PDGFR.
[structure and hydrogen bonding]

In the mol-ecule of 2,3-dimethyl-6-nitro-2H-indazole, C9H9N3O2, the indazole ring system is almost planar [maximum deviation = 0.019 (3) Å for the C atom bearing the nitro group]. In the crystal structure, inter-molecular C—H...O inter-actions link the mol-ecules into centrosymmetric dimers, forming R 2 2(18) ring motifs. Aromatic π–π contacts between indazole rings [centroid–centroid distances = 3.632 (1) and 3.705 (1)?] may further stabilize the structure[1].
2,3-DIMETHYL-6-NITRO-2H-INDAZOLE
[References]

[1] Yan Chen, Ping Wei, Zheng Fang. “2,3-Dimethyl-6-nitro-2H-indazole.” Acta crystallographica. Section E, Structure reports online 65 Pt 8 (2009): o1775.
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIMETHYL-6-NITRO-2H-INDAZOLE(444731-73-1)1HNMR
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