Dinitroisodurene
Basic information
- CAS
4674-22-0- Standard SMILES
Cc1c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C- InChIKey
NYUTYKUIBRNYIV-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- Dinitroisodurene
- IUPAC
- 1,2,3,5-tetramethyl-4,6-dinitrobenzene
- English name
- Dinitrodurene
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
Dinitroisodurene1,2,3,5-Tetramethyl-4,6-dinitrobenzene4674-22-0Tetramethyl-1,3-dinitrobenzeneBenzene, 1,2,3,5-tetramethyl-4,6-dinitro-DTXSID302835061,3-Dinitro-2,4,5,6-tetramethylbenzene4,6-Dinitro-1,2,3,5-tetramethylbenzeneRefChem:338864DTXCID10234657NYUTYKUIBRNYIV-UHFFFAOYSA-NNSC31896
Show more names
metadinitrotetramethylbenzeneNSC-31896
Database identifiers
- CAS
4674-22-0- PubChem CID
- 233399
- DTXSID
DTXSID30283506- Nikkaji
- J586.188H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 359.4 · 359.4±37.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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