Benzamide, N,N'-[9,10-bis(sulfooxy)-1,5-anthracenediyl]bis-, sodium salt (1:2)
Basic information
- CAS
6711-83-7- Standard SMILES
O=C(Nc1cccc2c(OS(=O)(=O)[O-])c3c(NC(=O)c4ccccc4)cccc3c(OS(=O)(=O)[O-])c12)c1ccccc1.[Na+].[Na+]- InChIKey
MDKGQPXOGWXWNG-UHFFFAOYSA-L- Molecular formula
- C28H18N2Na2O10S2
- Average molar mass
- 652.6 g/mol
- Monoisotopic mass
- 652.01982569
Names & identifiers
- Preferred name
- Benzamide, N,N'-[9,10-bis(sulfooxy)-1,5-anthracenediyl]bis-, sodium salt (1:2)
- IUPAC
- disodium;(1,5-dibenzamido-10-sulfonatooxyanthracen-9-yl) sulfate
- English name
- disodium 1,5-dibenzamidoanthracene-9,10-diyl bis(sulphate)
- Molecular formula
- C28H20N2O10S2.2Na
- Molecular weight
- 632.59
Names & synonyms
EINECS 229-762-4Benzamide, N,N'-(9,10-bis(sulfooxy)-1,5-anthracenediyl)bis-, disodium saltBenzamide, N,N'-[9,10-bis(sulfooxy)-1,5-anthracenediyl]bis-, disodium saltBenzamide, N,N'-(9,10-bis(sulfooxy)-1,5-anthracenediyl)bis-, sodium salt (1:2)Benzamide, N,N'-[9,10-bis(sulfooxy)-1,5-anthracenediyl]bis-, sodium salt (1:2)RefChem:5614986711-83-7Disodium 1,5-dibenzamidoanthracene-9,10-diyl bis(sulphate)DTXSID50890630NS00047192Disodium 1,5-bis(benzamido)anthracene-9,10-diyl disulfateSolubilised Vat Yellow 3
Show more names
C.I.Solubilised Vat Yellow 3 :C.I.617261,5-Bis(benzoylamino)anthracene-9,10-diol 9,10-bis(sulfuric acid sodium) salt
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- EPA Substance Registry System
- 9 · Benzamide, N,N'-[9,10-bis(sulfooxy)-1,5-anthracenediyl]bis-, disodium salt (6711-83-7)
- 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.
Hazard information
Regulatory InformationChemical: Benzamide, N,N'-[9,10-bis(sulfooxy)-1,5-anthracenediyl]bis-, disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N,N'-[9,10-bis(sulfooxy)-1,5-anthracenediyl]bis-, sodium salt (1:2): INACTIVE
Preparation methods
Preparation(a) in the presence of Pyridine, with Chlorosulfonic acid treatment C.I. Vat Yellow 3leuco; (b) used in Pyridinemetal (such as copper, iron, zinc, etc) and Sulfur trioxide source (such as Sulfur trioxide, chlorosulfonic or Methyl chlorosulfonate) processing C.I. Vat Yellow 3. The above two kinds of circumstances are through with alkali, filter out the insoluble,, remove Pyridine and salting-out.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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