Acid Anthracene Brown PG , CAS No.6369-32-0

CAS: 6369-32-0 Cat. No.: A353931 Fórmula: C₂₃H₁₅N₃Na₂O₆S Peso molecular: 507.43 PubChem CID: 135666407

Synonyms

EINECS 228-867-2 | sodium (E)-2-((1-hydroxy-7-(phenylamino)-3-sulfonatonaphthalen-2-yl)diazenyl)benzoate | Benzoic acid, 2-(2-(1-hydroxy-7-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:2) | AKOS015902884 | Acid Anthracene Brown PG | Acid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 228-867-2 | sodium (E)-2-((1-hydroxy-7-(phenylamino)-3-sulfonatonaphthalen-2-yl)diazenyl)benzoate | Benzoic acid, 2-(2-(1-hydroxy-7-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:2) | AKOS015902884 | Acid Anthracene Brown PG | Acid

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC=CC=C4C(=O)O)[O-].[Na+].[Na+]

IUPAC Name

disodium;6-anilino-3-[(2-carboxyphenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate

InChIKey

LVOFSWXWJSVXOA-UHFFFAOYSA-L

INCHI

1S/C23H17N3O6S.2Na/c27-22-18-13-16(24-15-6-2-1-3-7-15)11-10-14(18)12-20(33(30,31)32)21(22)26-25-19-9-5-4-8-17(19)23(28)29;;/h1-13,24,27H,(H,28,29)(H,30,31,32);;/q;2*+1/p-2

SMILES isoméricas

C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC=CC=C4C(=O)O)[O-].[Na+].[Na+]

PubChem CID

135666407

Peso molecular

507.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Aniline and substituted anilines Benzoyl derivatives Phenoxides Primary aromatic amines Sulfonyls Organosulfonic acids Carboxylic acid salts Azo compounds Amino acids Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Secondary amines Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Phenoxide - Primary aromatic amine - Monocyclic benzene moiety - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid salt - Amino acid or derivatives - Amino acid - Azo compound - Organic alkali metal salt - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 507.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 507.048 Da
• Monoisotopic Mass: 507.048 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 796.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6369-32-0, the molecular formula is C23H15N3Na2O6S, and the molecular weight is 507.43 g/mol. InChIKey LVOFSWXWJSVXOA-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.