Basic information
- CAS
59283-75-9- Standard SMILES
Cc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-]- InChIKey
HTTDEAQRSCMCQS-UHFFFAOYSA-N- Molecular formula
- C7H7N3O5
- Average molar mass
- 213.15 g/mol
- Monoisotopic mass
- 213.03857033
Names & identifiers
- Preferred name
- 4-Hydroxylamino-2,6-dinitrotoluene
- IUPAC
- N-(4-methyl-3,5-dinitrophenyl)hydroxylamine
- English name
- 4-hydroxylamino-2,6-dinitrotoluene
- Molecular formula
- C7H7N3O5
- Molecular weight
- 213.15
Names & synonyms
4-Hydroxylamino-2,6-dinitrotoluene4-Hadnt59283-75-9CHEBI:20408DTXSID60208005RefChem:99331DTXCID40130496N-(4-Methyl-3,5-dinitrophenyl)hydroxylamine4-hydroxyamino-2,6-dinitrotolueneBenzenamine, N-hydroxy-4-methyl-3,5-dinitro-CCRIS 8608SCHEMBL1230627
Show more names
4-Hydroxylamino-2,[email protected] mg/mL in AcCN
2,6-dinitro-4-hydroxylaminotolueneN-Hydroxy-4-methyl-3,5-dinitroaniline4-hydroxyamino-1-methyl-2,6-dinitrobenzeneDB-2953754-Hydroxylamino-1-methyl-2,6-dinitrobenzeneN-(4-Methyl-3,5,-dinitro-phenyl)-hydroxylamineN-(4-Methyl-3,5-dinitrophenyl)hydroxylamine #Q27109297
Database identifiers
- CAS
59283-75-9- PubChem CID
- 5375469
- DTXSID
DTXSID60208005- ChEBI
CHEBI:20408- Nikkaji
- J652.388I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 135 · 135-136 °C
- Boiling point
- 343.8 · 343.8±52.0 °C(Predicted)
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- pka
- 7.49 · 7.49±0.70(Predicted)
Chemistry & industry
Suppliers2 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4.
Related reactions
2 records
Compound notes
Loading…