Allura Red AC - ≥99% , CAS No.25956-17-6

CAS: 25956-17-6 Cat. No.: A107366 Summenformel: C₁₈H₁₄N₂Na₂O₈S₂ Molekulargewicht: 496.42 EG-Nummer: 247-368-0

GRADE & PURITY ≥99%

Synonyms

CI 16035; Food Red 17; Fancy Red; | Allura Red AC | Japan Red 40 | DTXCID504436 | F D & C RED #40 LAKE [VANDF] | FDC Red 40 dye | HSDB 7260 | WZB9127XOA | AKOS015903081 | Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate | SCHEM

Storage

Room temperature

Shipped In

Normal

Übersicht

product description：

Allura Red AC is a food azo dye. It is a dark red powder or granules, that is soluble in water and insoluble in ethanol.

application：

Allura Red AC has been used:

for the determination of fecal neutral sterols (FNS) in mice

to evaluate its developmental toxicity

as a coloring reagent for observing the experimental performance of liquid-handling robot

Biochemical/Physiological Effects：

Allura Red AC has been used as a coloring agent and a non-absorbable color marker.

Specifications

Synonyme

CI 16035; Food Red 17; Fancy Red; | Allura Red AC | Japan Red 40 | DTXCID504436 | F D & C RED #40 LAKE [VANDF] | FDC Red 40 dye | HSDB 7260 | WZB9127XOA | AKOS015903081 | Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate | SCHEM

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504753501

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753501

Kanonisches Lächeln

CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

IUPAC Name

disodium;6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

InChIKey

CEZCCHQBSQPRMU-UHFFFAOYSA-L

INCHI

1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2

Isomere SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

Molekulargewicht

496.42

Reaxy-Rn

8180063

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8180063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Ebene5 Naphthalene sulfonates
          • Ebene6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Toluenes Phenoxides Alkyl aryl ethers Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic sodium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Toluene - Alkyl aryl ether - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Azo compound - Organic 1,3-dipolar compound - Ether - Organic alkali metal salt - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 496.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 495.999 Da
• Monoisotopic Mass: 495.999 Da
• Topological Polar Surface Area: 185.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 809.000
• 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