Sulfone, bis(2,4-dinitrophenyl)
Basic information
- CAS
2486-12-6- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
AFGYVZLIKYTRAH-UHFFFAOYSA-N- Molecular formula
- C12H6N4O10S
- Average molar mass
- 398.26 g/mol
- Monoisotopic mass
- 397.98046357
Names & identifiers
- Preferred name
- Sulfone, bis(2,4-dinitrophenyl)
- IUPAC
- 1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene
- English name
- Benzene,1,1'-sulfonylbis[2,4-dinitro-
- Molecular formula
- C12H6N4O10S
- Molecular weight
- 398.26
Names & synonyms
Sulfone, bis(2,4-dinitrophenyl)2486-12-6TV4S6W6H6FNSC-122653Benzene, 1,1'-sulfonylbis(2,4-dinitro-NSC 1226531,1'-sulfonylbis(2,4-dinitrobenzene)BRN 2572378DTXSID801795611-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene4-06-00-01750 (Beilstein Handbook Reference)RefChem:186580
Show more names
Benzene,1,1'-sulfonylbis[2,4-dinitro-
DTXCID401020522,4-Dinitrophenyl sulfoneNSC122653UNII-TV4S6W6H6FSCHEMBL19704472,2',4,4'-TetranitrodiphenylsulfoneAKOS0032355851-(2,4-dinitrophenyl)sulfonyl-2,4-dinitro-benzene
Database identifiers
- CAS
2486-12-6- PubChem CID
- 97432
- DTXSID
DTXSID80179561- UNII
- TV4S6W6H6F
- EC Number
- 632-631-8
- Nikkaji
- J795.938I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Melting point
- 177 · 177-178 °C
- Boiling point
- 649 · 649.0±55.0 °C(Predicted)
- Density
- 1.768 · 1.768±0.06 g/cm3(Predicted)
- FDA UNII
- 4 S6W6H6F · TV4S6W6H6F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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