1-Naphthalenesulfonic acid, 3-(2-(4-(2-(4-(2-(4-aminophenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)
Basic information
- CAS
3626-40-2- Standard SMILES
Nc1ccc(N=Nc2ccc(N=Nc3ccc(N=Nc4cc(S(=O)(=O)[O-])c5ccccc5c4O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1.[Na+].[Na+].[Na+]- InChIKey
NBAONFGKBCDXQW-UHFFFAOYSA-K- Molecular formula
- C36H22N7Na3O10S3
- Average molar mass
- 877.8 g/mol
- Monoisotopic mass
- 877.02833629
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 3-(2-(4-(2-(4-(2-(4-aminophenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)
- IUPAC
- trisodium;3-[[4-[[4-[(4-aminophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1-sulfonate
- English name
- trisodium 3-[[4-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-6-sulphonatonaphthyl]azo]-4-hydroxynaphthalene-1-sulphonate
- Molecular formula
- C36H22N7Na3O10S3
- Molecular weight
- 877.76509
Names & synonyms
1-Naphthalenesulfonic acid, 3-(2-(4-(2-(4-(2-(4-aminophenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)1-Naphthalenesulfonic acid, 3-[2-[4-[2-[4-[2-(4-aminophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)RefChem:434840Tertrodiazo Indigo Blue BR3626-40-2C.I. Direct Blue 120, trisodium saltDiazo Blue BRSLDiazo Direct Blue LDirect Diazo Blue LDiazophenyl Blue BRNFenamin Diazo Blue BTrisodium 3-((4-((4-((4-aminophenyl)azo)-6-sulphonatonaphthyl)azo)-6-sulphonatonaphthyl)azo)-4-hydroxynaphthalene-1-sulphonate
Show more names
C.I.34085Diazo Blue BRGC.I.Direct Blue 120Direct blue 120 (C.I. 34085)C.I.Direct Blue 120:C.I.34085trisodium 3-[[4-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-6-sulphonatonaphthyl]azo]-4-hydroxynaphthalene-1-sulphonate4-[[4-[(4-Aminophenyl)azo]-6-sodiosulfo-1-naphthalenyl]azo]-1'-hydroxy[1,2'-azobisnaphthalene]-4',6-disulfonic acid disodium salt1-Naphthalenesulfonic acid, 3-[[4-[[4-[(4-aminophenyl) azo]-6-sulfo-1-naphthalenyl]azo]-6-sulfo-1-naphthalenyl ]azo]-4-hydroxy-, trisodium salt
Paramine Diazo Blue BRPhenazo Indigo Blue BRBenzanil Diazo Blue BRMC.I. 34085Diazamine Leather Blue BRBenzamin Indigo Blue BRLSDiazo Indigo Blue BRA-CFNSC-47766
Database identifiers
- CAS
3626-40-2- PubChem CID
- 72591
- DTXSID
DTXSID00889473- UNII
- X3LAD6D9TT
- EC Number
- 222-839-3
Properties
Computed structural properties
- Topological polar surface area
- 317 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,750
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 3-[[4-[[4-[(4-aminophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-6-sulfo-1-naphthalenyl]azo]-4-hydroxy-, trisodium salt (3626-40-2)
- 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, 3-[2-[4-[2-[4-[2-(4-aminophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:3): INACTIVE
Preparation methods
Preparation2-(4-Aminophenylamino)-2-oxoacetic acid diazo, and 5-Aminonaphthalene-2-sulfonic acidcoupling, again diazo, and 5-Aminonaphthalene-2-sulfonic acidcoupling, product to diazo, and 4-Hydroxynaphthalene-1-sulfonic acid coupling, and then 2-(4-Aminophenylamino)-2-oxoacetic acid hydrolysis base
Related reactions
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Compound notes
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