Acid Red 13 - Biological stain , CAS No.2302-96-7

CAS: 2302-96-7 Cat. No.: A303136 Molecular Weight: 502.42

GRADE & PURITY Biological Stain

Synonyms

Naphthionic Red A | C.I. Food Red 4 | disodium;6-hydroxy-5-[(4-sulonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulonate | Acilan Red E | HD Fast Red E Supra | Sodium 4-((2-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl)naphthalene-1-sulfonate | Cilefa Red E |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Naphthionic Red A | C.I. Food Red 4 | disodium;6-hydroxy-5-[(4-sulonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulonate | Acilan Red E | HD Fast Red E Supra | Sodium 4-((2-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl)naphthalene-1-sulfonate | Cilefa Red E |

Specifications & Purity

Biological stain

Storage

Room temperature

Shipped In

Normal

Grade

Biological Stain

Names and Identifiers

• Pubchem Sid: 488182296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182296
• Canonical Smiles: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;6-hydroxy-5-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
• InChIKey: YCDHVKWTZBVDKD-UHFFFAOYSA-L
• INCHI: 1S/C20H14N2O7S2.2Na/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)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=C2S(=O)(=O)[O-])N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])O.[Na+].[Na+]
• Molecular Weight: 502.42
• Reaxy-Rn: 4121350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4121350&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: 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acids Sulfonyls Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1,1'-azonaphthalene - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - 2-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Organic salt - 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

• Solubility: Soluble in water
• 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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