2-Methyl-4-nitro-2H-indazole
Basic information
- CAS
26120-44-5- Standard SMILES
Cn1cc2c([N+](=O)[O-])cccc2n1- InChIKey
NCSBJAWUBPTMRX-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 2-Methyl-4-nitro-2H-indazole
- IUPAC
- 2-methyl-4-nitroindazole
- English name
- 2-Methyl-4-nitro-2H-indazole
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
2-Methyl-4-nitro-2H-indazole26120-44-52-Methyl-4-nitroindazole2-methyl-4-nitro-indazole2H-Indazole, 2-methyl-4-nitro-MFCD11982555CHEMBL2071544NSC131657SCHEMBL4719658DTXSID10299625NCSBJAWUBPTMRX-UHFFFAOYSA-N2-Methyl-4-nitro-2H-indazole #
Show more names
2-Methyl-4-nitro-1H-indazole
BDBM50390020AKOS016004970AS-8519NSC-131657PB42419SY097704CS-0051857P15343
Database identifiers
- CAS
26120-44-5- PubChem CID
- 280212
- DTXSID
DTXSID10299625- ChEMBL
CHEMBL2071544- Nikkaji
- J129.689B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 101 · 101-103 °C
- Boiling point
- 364.5 · 364.5±15.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- -1.81 · -1.81±0.30(Predicted)
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
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Related reactions
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Compound notes
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