GRADE & PURITY Dye content 50%

Synonyms

Bordeaux EMBL | Diaphtamine Light Red 4B | Direct red y81 | Triantine Light Red 4BN | Durazol Red 2BP | CHLORANTINEFASTRED5B | disodium;7-benzamido-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate | NSC-326198 | Diazo L

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Bordeaux EMBL | Diaphtamine Light Red 4B | Direct red y81 | Triantine Light Red 4BN | Durazol Red 2BP | CHLORANTINEFASTRED5B | disodium;7-benzamido-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate | NSC-326198 | Diazo L

Specifications & Purity

Dye content 50%

Biochemical and Physiological Mechanisms

Bacterial microbiota NBNJ6 can decolorize Direct Red 81 (DR81)

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488182393
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182393
• Canonical Smiles: C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;7-benzamido-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate
• InChIKey: UFUQRRYHIHJMPB-UHFFFAOYSA-L
• INCHI: 1S/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• Molecular Weight: 675.6
• Reaxy-Rn: 3894142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3894142&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives Azobenzenes Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzamides Benzenesulfonyl compounds Benzoyl derivatives Phenoxides Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Azobenzene - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organosulfonic acid - Secondary carboxylic acid amide - Azo compound - Carboxamide group - Organic alkali metal salt - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic salt - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 240 °C
• Molecular Weight: 675.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 675.047 Da
• Monoisotopic Mass: 675.047 Da
• Topological Polar Surface Area: 230.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Dong Zou, Shiying Ni, Huandi Yao, Chang Hu, Ze-Xian Nicholas Low, Zhaoxiang Zhong.  (2022)  Co-sintering of ceramic ultrafiltration membrane with gradient pore structures for separation of dye/salt wastewater.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122030]

2. Junqi Zha, Wugao Wu, Peng Xie, Honghua Han, Zheng Fang, Yantao Chen, Zhongfan Jia.  (2022)  Polymeric Nanocapsule Enhances the Peroxidase-like Activity of Fe3O4 Nanozyme for Removing Organic Dyes.  Catalysts,  12  (6): (614).  [PMID:] [10.3390/catal12060614]