Acid Red 66 - Dye content ~60 % , CAS No.4196-99-0

CAS: 4196-99-0 Cat. No.: A121933 Fórmula: C₂₂H₁₄N₄Na₂O₇S₂ Peso molecular: 556.48 Número CE: 224-084-5

GRADE & PURITY Dye content ~60 %

Synonyms

Biebrich scarlet sodium salt | Biebrich scarlet WS | Ponceau BS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Biebrich scarlet sodium salt | Biebrich scarlet WS | Ponceau BS

Especificações e pureza

Dye content ~60 %

Mecanismos bioquímicos e fisiológicos

Azo organosulfur dye.Ponceau BS is used in Masson′s trichrome staining procedure, along with acid fuchsin, for the labeling of collagen and muscle red.

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Nomes e identificadores

Pubchem Sid

488182594

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182594

Sorrisos canónicos

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

IUPAC Name

disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate

InChIKey

VVAVKBBTPWYADW-UHFFFAOYSA-L

INCHI

1S/C22H16N4O7S2.2Na/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2

SMILES isoméricas

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

WGK Alemanha

3

Peso molecular

556.48

Reaxy-Rn

3883900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3883900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Naphthalenes Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Azobenzene - Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Monocyclic benzene moiety - 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 - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• External Descriptors: organic sodium salt

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

• Solubilidade: ethanol: 1 mg/mL H2O: >30 mg/mL
• Ponto de inflamação (°F): 572°F
• Ponto de inflamação (°C): 300℃
• Ponto de fusão (°C): 181-188°C
• Peso molecular: 556.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 556.01 Da
• Monoisotopic Mass: 556.01 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 958.000
• 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