4-methyl-7-nitro-1H-indole
Basic information
- CAS
289483-80-3- Standard SMILES
Cc1ccc([N+](=O)[O-])c2[nH]ccc12- InChIKey
LXZHCIXJJSWNNT-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 4-methyl-7-nitro-1H-indole
- IUPAC
- 4-methyl-7-nitro-1H-indole
- English name
- 4-Methyl-7-nitro-1H-indole
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
4-methyl-7-nitro-1H-indole289483-80-3DTXSID60468167RefChem:294423DTXCID204189861H-Indole, 4-methyl-7-nitro-MFCD077807604-Methyl-7-nitroindoleSCHEMBL2768608AKOS006286628AC-24838AS-31633
Show more names
4-Methyl-7-nitro-2H-indole2-(p toluene sulphonyloxymethyl) 6-methyl 2,3-dihydro [4H] 1,4-benzodioxin
SY034766CS-0144949FT-0708500A852306AMY737SCHEMBL29764388DB-068034F226326
Database identifiers
- CAS
289483-80-3- PubChem CID
- 11535656
- DTXSID
DTXSID60468167
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 384.4 · 384.4±22.0 °C(Predicted)
- Density
- 1.355 · 1.355
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 14.32 · 14.32±0.30(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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