CAS 444731-73-1 2,3-Dimethyl-6-nitro-2H-indazole (HCID 10465149)

Substructure search Find similar structures

Basic information

CAS: 444731-73-1
Standard SMILES: Cc1c2ccc([N+](=O)[O-])cc2nn1C
InChIKey: JHGRUPGVUMAQQU-UHFFFAOYSA-N
Molecular formula: C9H9N3O2
Average molar mass: 191.19 g/mol
Monoisotopic mass: 191.06947653

Names & identifiers

Preferred name: 2,3-Dimethyl-6-nitro-2H-indazole
IUPAC: 2,3-dimethyl-6-nitroindazole
English name: 2,3-dimethyl-6-nitro-2H-indazole
Molecular formula: C9H9N3O2
Molecular weight: 191.19

Names & synonyms

2,3-DIMETHYL-6-NITRO-2H-INDAZOLE444731-73-1DTXSID20440323RefChem:81839DTXCID803911452,3-dimethyl-6-nitroindazole2,3-Dimethyl-6-nitro-1H-indazole2,3-dimethyl-6-nitro-indazoleMFCD10703326Pazopanib Impurity 112H-INDAZOLE, 2,3-DIMETHYL-6-NITRO-HAW2NS88AU

Show more names

Pazopanil impurity 11Pazopanib Impurity 193-Methly-6-nitroindazole2,3-dimethyl-6-nitrobazole2,3-Dimethyl-6-nitro-1H-i...3-diMethyl-6-nitro-2H-indazole2,3-Dimethyl-6-Nitro-2H-Indazol

SCHEMBL5885882H-Indazole, 2,3-dimethyl-6-nitro-; 2,3-Dimethyl-6-nitro-2H-indazoleorb3144529JHGRUPGVUMAQQU-UHFFFAOYSA-NCS-M3239TYD-03871AKOS006302978PB28185

Database identifiers

CAS: 444731-73-1
PubChem CID: 10465149
DTXSID: DTXSID20440323
UNII: HAW2NS88AU
EC Number: 610-189-7

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 183 · 183-186°C
Boiling point: 377 · 377.0±22.0 °C(Predicted)
Density: 1.36 · 1.36±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: -0.55 · -0.55±0.30(Predicted)
form: Solid
color: Yellow
InChI: InChI=1S/C9H9N3O2/c1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2/h3-5H,1-2H3
InChIKey: JHGRUPGVUMAQQU-UHFFFAOYSA-N
SMILES: N1=C2C(C=CC([N+]([O-])=O)=C2)=C(C)N1C
Symbol(GHS): 7 · GHS07
Signal word: warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405

Safety & regulation

Safety data

Signal word: warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405

Chemistry & industry

Applications

Uses2,3-Dimethyl-6-nitro-2H-indazole is an impurity in the synthesis of Pazopanib (P210925) hydrochloride, an oral angiogenesis inhibitor targeting VEGFR and PDGFR.