Basic information
- CAS
896-80-0- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1- InChIKey
XGDSNKQDAAZGFA-UHFFFAOYSA-N- Molecular formula
- C12H8N2O6S
- Average molar mass
- 308.27 g/mol
- Monoisotopic mass
- 308.01030715
Names & identifiers
- Preferred name
- Benzene, 2,4-dinitro-1-(phenylsulfonyl)-
- IUPAC
- 1-(benzenesulfonyl)-2,4-dinitrobenzene
- English name
- Sulfone, 2,4-dinitrophenyl phenyl
- Molecular formula
- C12H8N2O6S
- Molecular weight
- 308.27
Names & synonyms
896-80-0Benzene, 2,4-dinitro-1-(phenylsulfonyl)-Benzene,2,4-dinitro-1-(phenylsulfonyl)-NSC6292681-(benzenesulfonyl)-2,4-dinitro-benzene1-(benzenesulfonyl)-2,4-dinitrobenzeneNSC258252,4-Dinitrodiphenylsulfone2,4-Dinitrodiphenylsulphone2,4-diNO2Ph-SO2-Ph2,4-Dinitro-diphenyl-sulfone2,4-Dinitrophenyl phenyl sulfone
Show more names
2,4-Dinitrophenylphenyl sulfone2,4-Dinitro[sulfonylbisbenzene]2-Nitrophenyl 4-nitrophenyl sulfone(4-Nitrophenyl)(2-nitrophenyl) sulfone
DTXSID30282418XGDSNKQDAAZGFA-UHFFFAOYSA-NSulfone, 2,4-dinitrophenyl phenylNSC-25825STL497549AKOS0032731702,4-Dinitro-1-(phenylsulfonyl)benzeneNSC-629268
Database identifiers
- CAS
896-80-0- PubChem CID
- 230686
- DTXSID
DTXSID30282418- Nikkaji
- J168.808A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Melting point
- 161 °C · 161 °C
- Boiling point
- 519.9 · 519.9±40.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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