Quinoline yellow - ≥70% , CAS No.8004-92-0

CAS: 8004-92-0 Cat. No.: Q100276 Fórmula: C₁₈H₉NNa₂O₈S₂ Peso molecular: 477.37 Número CE: 616-849-0

GRADE & PURITY ≥70%

Synonyms

CAS-8004-92-0 | Japan Yellow 203 | 2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt | disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate | E 104 | PD094564 | DISODIUM SALT OF 2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDENE-2-YL)-6,8-QUINOLINEDISULFON

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CAS-8004-92-0 | Japan Yellow 203 | 2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt | disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate | E 104 | PD094564 | DISODIUM SALT OF 2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDENE-2-YL)-6,8-QUINOLINEDISULFON

Especificações e pureza

≥70%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥70%

Nomes e identificadores

Pubchem Sid

488182915

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182915

Sorrisos canónicos

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate

InChIKey

FZUOVNMHEAPVBW-UHFFFAOYSA-L

INCHI

1S/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2

SMILES isoméricas

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

WGK Alemanha

3

RTECS

GC5796000

Peso molecular

477.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanediones
• Alternative Parents: Quinolines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Aryl alkyl ketones Beta-diketones Pyridines and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indanedione - Quinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Pyridine - 1,3-dicarbonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic salt - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic sodium salt - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
• 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: 477.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 476.956 Da
• Monoisotopic Mass: 476.956 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 852.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥70% 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 8004-92-0, the molecular formula is C18H9NNa2O8S2, and the molecular weight is 477.37 g/mol. InChIKey FZUOVNMHEAPVBW-UHFFFAOYSA-L.

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.