1-Naphthalenesulfonic acid, 5,5'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, sodium salt (1:4)
Basic information
- CAS
6410-42-0- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3cccc4c(S(=O)(=O)[O-])cccc34)c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(O)c(N=Nc3cccc4c(S(=O)(=O)[O-])cccc34)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
UHEHURSZFOVSCM-UHFFFAOYSA-J- Molecular formula
- C41H24N6Na4O15S4
- Average molar mass
- 1,060.9 g/mol
- Monoisotopic mass
- 1,059.97732519
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 5,5'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, sodium salt (1:4)
- IUPAC
- tetrasodium;4-hydroxy-7-[[5-hydroxy-7-sulfonato-6-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
- English name
- tetrasodium 5,5'-[carbonylbis[imino(1-hydroxy-3-sulphonatonaphthalene-2,6-diyl)azo]]bisnaphthalene-1-sulphonate
- Molecular formula
- C41H24N6Na4O15S4
- Molecular weight
- 1060.87954
Names & synonyms
1-Naphthalenesulfonic acid, 5,5'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, sodium salt (1:4)1-Naphthalenesulfonic acid, 5,5'-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl]]bis-, sodium salt (1:4)RefChem:434901Direct Red 546410-42-0tetrasodium;4-hydroxy-7-[[5-hydroxy-7-sulfonato-6-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate1-Naphthalenesulfonic acid, 5,5'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo))bis-, tetrasodium salt1-Naphthalenesulfonic acid, 5,5'-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, tetrasodium saltC.I. Direct Red 54DTXSID90889523EINECS 229-108-8Tetrasodium 5,5'-(carbonylbis(imino(1-hydroxy-3-sulphonatonaphthalene-2,6-diyl)azo))bisnaphthalene-1-sulphonate
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Properties
Computed structural properties
- Topological polar surface area
- 393 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 6
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 2,060
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 5,5'-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, tetrasodium salt (6410-42-0)
- 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 Information1-Naphthalenesulfonic acid, 5,5'-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl]]bis-, sodium salt (1:4): INACTIVE
Preparation methods
Preparation5-Aminonaphthalene-1-sulfonic acid (2 Moore) diazo, coupled with N,N’-bis(4-hydroxy-2-sulfonaphthalene-7-yl)urea.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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