Basic information
- CAS
6104-56-9- Standard SMILES
Cc1cc(NC(=O)c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(NC(=O)c5ccc(N)cc5)ccc4c3O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1.[Na+].[Na+].[Na+]- InChIKey
DZSJSWXRTVFCNO-UHFFFAOYSA-K- Molecular formula
- C41H28N7Na3O12S3
- Average molar mass
- 975.9 g/mol
- Monoisotopic mass
- 975.06511572
Names & identifiers
- Preferred name
- 1,3-Naphthalenedisulfonic acid, 7-(2-(4-((4-(2-(6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)benzoyl)amino)-2-methylphenyl)diazenyl)-, sodium salt (1:3)
- IUPAC
- trisodium;7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate
- English name
- trisodium 7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]-o-tolyl]azo]naphthalene-1,3-disulphonate
- Molecular formula
- C41H28N7Na3O12S3
- Molecular weight
- 975.86503
Names & synonyms
1,3-Naphthalenedisulfonic acid, 7-(2-(4-((4-(2-(6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)benzoyl)amino)-2-methylphenyl)diazenyl)-, sodium salt (1:3)1,3-Naphthalenedisulfonic acid, 7-[2-[4-[[4-[2-[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]-, sodium salt (1:3)RefChem:415355Diazanil Orange RR6104-56-9C.I. Direct Orange 74Diazo Orange 2RPhenazo Orange RRC.I. Direct Orange 74, trisodium salttrisodium;7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonatePontamine Diazo Orange 2RPara Orange RR Conc. CF
Show more names
C.I.28255Direct Orange 74C.I.Direct Orange 74C.I.Direct Orange 74:C.I.28255trisodium 7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]-o-tolyl]azo]naphthalene-1,3-disulphonate
Properties
Computed structural properties
- Topological polar surface area
- 351 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,970
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Naphthalenedisulfonic acid, 7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-2-methylphenyl]azo]-, trisodium salt (6104-56-9)
- 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 Information1,3-Naphthalenedisulfonic acid, 7-[2-[4-[[4-[2-[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]-, sodium salt (1:3): INACTIVE
Preparation methods
Preparation7-Aminonaphthalene-1,3-disulfonic acid diazo, and a coupling m-Toluidinecondensation, and then will the nitro reductive into amino, its product to diazo, and 7-(4-Aminobenzamido)-4-hydroxynaphthalene-2-sulfonic acid coupling.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…