Basic information
- CAS
56207-39-7- Standard SMILES
Cc1c([N+](=O)[O-])ccc([N+](=O)[O-])c1N- InChIKey
VVZWLLMSXCXIRJ-UHFFFAOYSA-N- Molecular formula
- C7H7N3O4
- Average molar mass
- 197.15 g/mol
- Monoisotopic mass
- 197.04365571
Names & identifiers
- Preferred name
- 3,6-Dinitro-o-toluidine
- IUPAC
- 2-methyl-3,6-dinitroaniline
- English name
- 3,6-dinitro-o-toluidine
- Molecular formula
- C7H7N3O4
- Molecular weight
- 197.15
Names & synonyms
3,6-Dinitro-o-toluidine2-methyl-3,6-dinitroaniline56207-39-7BRN 29786762-AMINO-3,6-DINITROTOLUENEEINECS 260-053-2o-Toluidine, 3,6-dinitro-Benzenamine, 3,6-dinitro-2-methyl-Benzenamine, 3,6-dinitro-2-methyl- (9CI)DTXSID60204744VVZWLLMSXCXIRJ-UHFFFAOYSA-NBenzenamine, 2-methyl-3,6-dinitro-
Show more names
AKOS006279567DB-252083NS00033482
Database identifiers
- CAS
56207-39-7- PubChem CID
- 41780
- DTXSID
DTXSID60204744- EC Number
- 260-053-2
- Nikkaji
- J85.090J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 151 °C · 151 °C(Solv: ethanol (64-17-5))
- Boiling point
- 400.8 · 400.8±40.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- pka
- -2.34 · -2.34±0.10(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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