C.I. Direct Red 17
Basic information
- CAS
2769-07-5- Standard SMILES
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4c(O)ccc5cccc(S(=O)(=O)[O-])c45)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]- InChIKey
XXDRHTUBHMZGEB-UHFFFAOYSA-L- Molecular formula
- C32H21N5Na2O7S2
- Average molar mass
- 697.7 g/mol
- Monoisotopic mass
- 697.06777857
Names & identifiers
- Preferred name
- C.I. Direct Red 17
- IUPAC
- disodium;4-amino-3-[[4-[4-[(2-hydroxy-8-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate
- English name
- Chloramine Rubine
- Molecular formula
- C32H24N5NaO7S2
- Molecular weight
- 677.68
Names & synonyms
Direct Red 17C.I. Direct Red 172769-07-5C.I. 2215077IUR4G416C.I. Direct Red 17, disodium saltCongo RubineChloramine RubineDirect Rubine RDiaphtamine RubineBenzanil Rubine ABenzo Congo Rubine
Show more names
C.I.22150C.I.Direct Red 17:C.I.221504-Amino-3-[[4'-[(2-hydroxy-8-sulfo-1-naphtyl)azo]-1,1'-biphenyl-4-yl]azo]-1-naphthalenesulfonic acid disodium saltdisodium,4-amino-3-[[4-[4-[(2E)-2-(2-oxo-8-sulfonatonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate
Chlorazol Rubine ABenzanil Rubine ASDiphenyl Rubine NRDirect Bordeaux BKDiazamine fuchsine O1-Naphthalenesulfonic acid, 4-amino-3-((4'-((2-hydroxy-8-sulfo-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, sodium saltKayaku Direct Bordeaux BKUNII-77IUR4G416
Database identifiers
- CAS
2769-07-5- PubChem CID
- 17706
- DTXSID
DTXSID7036799- UNII
- 77IUR4G416
Properties
Computed structural properties
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,280
Physicochemical properties
- FDA UNII
- 77 IUR4G416 · 77IUR4G416
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 4-amino-3-[[4'-[(2-hydroxy-8-sulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-, sodium salt (2769-07-5)
Chemistry & industry
Preparation methods
Preparation4-(4-Aminophenyl)benzenamine double nitriding, first and 7-Hydroxynaphthalene-1-sulfonic acid coupling, and then and 4-Aminonaphthalene-1-sulfonic acid matches.
Upstream & downstream products
Upstream raw materials
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Compound notes
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