Bordeaux Red - Biological stain , CAS No.5858-33-3

CAS: 5858-33-3 Cat. No.: B405675 Formula: C₂₀H₁₂N₂Na₂O₇S₂ Molecular Weight: 502.42 EC Number: 227-489-5

GRADE & PURITY Biological Stain

Synonyms

B0779 | Calcolake Bordeaux BXL | MFCD00003887 | Java Bordeaux B | Acid Bordeaux | Acid Bordeaux B (VAN) | UNII-Y443D49605 | Naphthalene Bordeaux B | Brilliant Bordeaux B | AKOS024319601 | CI ACID RED 17 | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(1-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

B0779 | Calcolake Bordeaux BXL | MFCD00003887 | Java Bordeaux B | Acid Bordeaux | Acid Bordeaux B (VAN) | UNII-Y443D49605 | Naphthalene Bordeaux B | Brilliant Bordeaux B | AKOS024319601 | CI ACID RED 17 | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(1-

Specifications & Purity

Biological stain

Storage

Argon charged,Room temperature

Shipped In

Normal

Grade

Biological Stain

Names and Identifiers

• Pubchem Sid: 488182741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182741
• Canonical Smiles: C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalene-2,7-disulfonate
• InChIKey: LHRXTFDXJQAGAV-UHFFFAOYSA-L
• INCHI: 1S/C20H14N2O7S2.2Na/c23-20-18(31(27,28)29)11-13-10-14(30(24,25)26)8-9-16(13)19(20)22-21-17-7-3-5-12-4-1-2-6-15(12)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• RTECS: QJ6479500
• Molecular Weight: 502.42
• Reaxy-Rn: 7161902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7161902&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass 1,1'-azonaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: 1,1'-azonaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,1'-azonaphthalenes
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1,1'-azonaphthalene - Naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,1'-azonaphthalenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to the 1-position of a naphthalene ring system. Naphthalene is a compound made up of two fused benzene rings.
• 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 502.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 501.988 Da
• Monoisotopic Mass: 501.988 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 854.000
• 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

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