Basic information
- CAS
6420-43-5- Standard SMILES
Cc1ccccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(NC(=O)Nc3ccc4c(S(=O)(=O)[O-])c(N=Nc5ccc(S(=O)(=O)[O-])cc5C)c(O)cc4c3)ccc2c1O.[Na+].[Na+].[Na+]- InChIKey
MCQJGPAUAOMLNM-UHFFFAOYSA-K- Molecular formula
- C35H25N6Na3O12S3
- Average molar mass
- 886.8 g/mol
- Monoisotopic mass
- 886.03856608
Names & identifiers
- Preferred name
- Trisodium 4-hydroxy-7-((((5-hydroxy-7-sulphonato-6-((o-tolyl)azo)-2-naphthyl)amino)carbonyl)amino)-3-((2-methyl-4-sulphonatophenyl)azo)naphthalene-2-sulphonate
- IUPAC
- trisodium;4-hydroxy-7-[[7-hydroxy-6-[(2-methyl-4-sulfonatophenyl)diazenyl]-5-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate
- English name
- trisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate
- Molecular formula
- C35H29N6NaO12S3
- Molecular weight
- 844.82
Names & synonyms
6420-43-5DTXSID30889542Trisodium 4-hydroxy-7-((((5-hydroxy-7-sulphonato-6-((o-tolyl)azo)-2-naphthyl)amino)carbonyl)amino)-3-((2-methyl-4-sulphonatophenyl)azo)naphthalene-2-sulphonateTrisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonateRefChem:386746DTXCID801030892229-163-8Trisodium;4-hydroxy-7-[[7-hydroxy-6-[(2-methyl-4-sulfonatophenyl)diazenyl]-5-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-((2-methylphenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((2-methyl-4-sulfophenyl)azo)-, trisodium salt2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methylphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulfophenyl)azo]-, trisodium saltC.I. Direct Red 62EINECS 229-163-8
Properties
Computed structural properties
- Topological polar surface area
- 328 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,740
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methylphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulfophenyl)azo]-, trisodium salt (6420-43-5)
- 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-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[2-(2-methylphenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[2-(2-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:3): INACTIVE
Preparation methods
Preparation4-Amino-3-methylbenzenesulfonic acid diazo, in acetic acid medium and N,N’-bis(4-hydroxy-2-sulfonaphthalene-7-yl)urea coupling, O-Methylanilinediazo, in alkaline conditions and accidentally coupled nitrogen compounds.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Related reactions
0 records
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Compound notes
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