Amaranth solution - analytical standard, 0.5mg/ml in water,for food analysis , CAS No.915-67-3

CAS: 915-67-3 Cat. No.: A109286 Fórmula: C₂₀H₁₁N₂Na₃O₁₀S₃ Peso molecular: 604.47 Beilstein Registry Number: 4122311 Número EC: 213-022-2

GRADE & PURITY Analytical standard, 0.5mg/ml in water,for food analysis

Synonyms

Acid red 27 | Amaranth (dye) | Azorubine S | Dolkwal Amaranth | Kayaku Amaranth | Amaranth Dye (80%) | Food Red 9 | Java Amaranth | Acilan Red SE | Azo Red R | NSC-4300 | Amaranth (e 123) | C.I. 16185 | Daishiki Amaranth | Kayaku Food Colour Red No. 2 | T

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Acid red 27 | Amaranth (dye) | Azorubine S | Dolkwal Amaranth | Kayaku Amaranth | Amaranth Dye (80%) | Food Red 9 | Java Amaranth | Acilan Red SE | Azo Red R | NSC-4300 | Amaranth (e 123) | C.I. 16185 | Daishiki Amaranth | Kayaku Food Colour Red No. 2 | T

Especificaciones y pureza

analytical standard, 0.5mg/ml in water,for food analysis

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

Pubchem Sid

528775191

Sonrisas canónicas

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

IUPAC Name

trisodium;3-hydroxy-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

InChIKey

WLDHEUZGFKACJH-UHFFFAOYSA-K

INCHI

1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/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=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

WGK Alemania

3

RTECS

QJ6550000

Peso molecular

604.47

Beilstein

4122311

Reaxy-Rn

4122311

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4122311&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 Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• 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 - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen 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

• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 218-220°C
• 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

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