Basic information
- CAS
6449-09-8- Standard SMILES
O=C1c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c2C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c21- InChIKey
OPZUWDAYFQMSMY-UHFFFAOYSA-N- Molecular formula
- C14H6N2O14S2
- Average molar mass
- 490.3 g/mol
- Monoisotopic mass
- 489.92604487
Names & identifiers
- Preferred name
- 2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-
- IUPAC
- 1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulfonic acid
- English name
- 1,5-dihydroxy-4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
- Molecular formula
- C14H6N2O14S2
- Molecular weight
- 490.33
Names & synonyms
6449-09-82,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-DTXSID7064366EINECS 229-249-5RefChem:445172DTXCID90443221,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulfonic acidNSC399222YA8FE3YFR1,5-DIHYDROXY-4,8-DINITRO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,6-DISULFONIC ACIDSCHEMBL112453419,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-2,6-anthracenedisulfonic acid
Show more names
1,5-dinitro-4,8-dihydroxy-anthraquinone-3,7-disulphonic acid
NS000821621,5-Dihydroxy-2,6-disulfo-4,8-dinitroanthraquinone1,5-Dihydroxy-4,8-dinitroanthrachinon-2,6-disulfonsaure1,5-dihydroxy-4,8-dinitro-anthraquinone-2,6-disulphonic acid1,5-dihydroxy-4,8-dinitro-9,10-dioxo-anthracene-2,6-disulfonic acid2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4, 8-dinitro-9,10-dioxo-9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonic acid1,5-Dihydroxy-4,8-bis(hydroxy(oxido)amino)-9,10-dioxo-9,10-dihydro-2,6-anthracenedisulfonic acid
Database identifiers
- CAS
6449-09-8- PubChem CID
- 3761329
- DTXSID
DTXSID7064366- UNII
- 2YA8FE3YFR
- EC Number
- 229-249-5
- Nikkaji
- J53.433A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 292 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 979
Physicochemical properties
- Density
- 2.177 · 2.177±0.06 g/cm3(Predicted)
- pka
- -2 · -2+-.0.20(Predicted)
- EPA Substance Registry System
- 2 · 2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo- (6449-09-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
1 records
Compound notes
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