2-Methyl-6-nitro-2H-indazole
Basic information
- CAS
6850-22-2- Standard SMILES
Cn1cc2ccc([N+](=O)[O-])cc2n1- InChIKey
RJFYXEGJMSZKIR-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 2-Methyl-6-nitro-2H-indazole
- IUPAC
- 2-methyl-6-nitroindazole
- English name
- 5-23-06-00185 (Beilstein Handbook Reference)
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
2-Methyl-6-nitro-2H-indazole6850-22-22-Methyl-6-nitroindazole2-N-Methyl-6-nitroindazole2H-Indazole, 2-methyl-6-nitro-X673VGV3YKNSC-131653DTXSID40218627RefChem:1063774DTXCID90141118MFCD004560756-NITRO-2-METHYL-2H-INDAZOLE
Show more names
(Beilstein Handbook Reference)2-methyl-6-nitro-2H-indazole, 2-methyl-6-nitroindazole, 2-methyl-6-nitro-2H-indazole, 2-Methyl-6-nitro-2H-indazol, 2-methyl-6-nitro-indazole, 2-Methyl-6-nitro-indazol, 2-Methyl-6-nitroindazol
5-23-06-00185 (Beilstein Handbook Reference)CCRIS 3242NSC 1316532-Methyl-6-nitro-indazoleBRN 0167038NSC131653UNII-X673VGV3YKOprea1_358328
Database identifiers
- CAS
6850-22-2- PubChem CID
- 81289
- DTXSID
DTXSID40218627- ChEMBL
CHEMBL1575327- UNII
- X673VGV3YK
- Nikkaji
- J150.516E
Properties
Computed structural properties
- XLogP
- 1.8
- 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
Experimental & physicochemical properties
LogP1.76
Solubility22 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 158 °C · 158 °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
- Brown
- FDA UNII
- 673 VGV3YK · X673VGV3YK
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
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
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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