New Coccine - ≥85% , CAS No.2611-82-7

CAS: 2611-82-7 Cat. No.: B113325 Fórmula: C₂₀H₁₁N₂Na₃O₁₀S₃ Peso molecular: 604.47 Beilstein Registry Number: 4122340 Número EC: 220-036-2

GRADE & PURITY ≥85%

Synonyms

Acilan Scarlet V3R | C.I. Acid Red 18 (VAN) | Edicol Supra Ponceau 4RS | Edicol Supra Ponceaux 4 RS | Food Red Number 102 | NSC-4301 | Schultz Nr. 213 | Certicol Ponceau 4RS | Colacid Ponceau 4R | Atul Acid Scarlet 3R | Brilliant Scarlet 4R | Cerven potra

Storage

Room temperature

Shipped In

Normal

Descripción general

It is red when dissolved in water, slightly soluble in alcohol and cellosolve, and insoluble in other organic solvents. It turns purple upon contact with concentrated sulfuric acid, and changes to reddish orange after dilution. With concentrated nitric acid, it forms a yellow solution. Its aqueous solution turns red with the addition of concentrated hydrochloric acid and brown when sodium hydroxide solution is added.

Specifications

Sinónimos

Acilan Scarlet V3R | C.I. Acid Red 18 (VAN) | Edicol Supra Ponceau 4RS | Edicol Supra Ponceaux 4 RS | Food Red Number 102 | NSC-4301 | Schultz Nr. 213 | Certicol Ponceau 4RS | Colacid Ponceau 4R | Atul Acid Scarlet 3R | Brilliant Scarlet 4R | Cerven potra

Especificaciones y pureza

≥85%

Aplicación

New Coccine has been used to determine its decolorization by fungi Phanerochaete chrysosporium and Pleurotus sajorcaju.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥85%

Nombres e identificadores

Pubchem Sid

504752831

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752831

Sonrisas canónicas

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

IUPAC Name

trisodium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate

InChIKey

SWGJCIMEBVHMTA-UHFFFAOYSA-K

INCHI

1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3

Isómeros SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

WGK Alemania

2

RTECS

QJ6530000

Peso molecular

604.47

Beilstein

4122340

Reaxy-Rn

4122340

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4122340&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: 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• 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 - Phenoxide - 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 - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic salt - Organic cation - 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

• Peso molecular: 604.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 603.927 Da
• Monoisotopic Mass: 603.927 Da
• Topological Polar Surface Area: 242.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1080.000
• 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

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 2611-82-7, the molecular formula is C20H11N2Na3O10S3, and the molecular weight is 604.47 g/mol. InChIKey SWGJCIMEBVHMTA-UHFFFAOYSA-K.

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.