Acid Blue 92 - ≥95%(HPLC) , CAS No.3861-73-2

CAS: 3861-73-2 Cat. No.: A405480 Fórmula: C₂₆H₁₆N₃Na₃O₁₀S₃ Peso molecular: 695.57 Número CE: 223-378-0

GRADE & PURITY ≥95%(HPLC)

Synonyms

Trisodium 4-hydroxy-4-(4-anilino-5-sulphonato-1-naphthylazo)naphthalene-2,7-disulphonate | Anazolene (trisodium) | Anazolene sodium (USAN/INN) | sodium (E)-4-hydroxy-5-((4-(phenylamino)-5-sulfonatonaphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonate | 4-(

Storage

Room temperature

Visão geral

Maximum Absorption Wavelength:571(H2O)nm

Specifications

Sinónimos

Trisodium 4-hydroxy-4-(4-anilino-5-sulphonato-1-naphthylazo)naphthalene-2,7-disulphonate | Anazolene (trisodium) | Anazolene sodium (USAN/INN) | sodium (E)-4-hydroxy-5-((4-(phenylamino)-5-sulfonatonaphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonate | 4-(

Especificações e pureza

≥95%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%(HPLC)

Nomes e identificadores

Sorrisos canónicos

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]

IUPAC Name

trisodium;4-[(4-anilino-5-sulfonatonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

InChIKey

ADGGJQPKBDIZMT-UHFFFAOYSA-K

INCHI

1S/C26H19N3O10S3.3Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;;;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3

SMILES isoméricas

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]

RTECS

QJ6300000

Peso molecular

695.57

Reaxy-Rn

4122602

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4122602&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriedades químicas e físicas

• Peso molecular: 695.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 694.969 Da
• Monoisotopic Mass: 694.969 Da
• Topological Polar Surface Area: 254.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1260.000
• 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: 4

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