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

CAS: 2302-96-7 Cat. No.: A303136 Peso molecular: 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

Sinónimos

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 |

Especificaciones y pureza

Biological stain

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Biological Stain

Nombres e identificadores

• Pubchem Sid: 488182296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182296
• Sonrisas canónicas: 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
• Isómeros 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+]
• Peso molecular: 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
    • Clase Naphthalenes
      • Subclass 1,1'-azonaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Peso molecular: 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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