Indigotin - AR, ≥90% , CAS No.482-89-3

CAS: 482-89-3 Cat. No.: I104185 Fórmula: C₁₆H₁₀O₂N₂ Peso molecular: 262.26 Beilstein Registry Number: 88275 Número CE: 207-586-9

GRADE & PURITY AR, ≥90%

Synonyms

Indigotin | Indigo Blue | Vat blue 1

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

Indigotin | Indigo Blue | Vat blue 1

Especificações e pureza

AR, ≥90%

Mecanismos bioquímicos e fisiológicos

Indigo is a blue dye with abundant sources. It can be extracted from plants of the Magnolia genus or synthesized for production. Indigo is a vat textile dye widely used for cellulose fibers such as cotton. In addition, it is also used to suppress the corr

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Grau

AR

Pureza

≥90%

Nomes e identificadores

Pubchem Sid

488181091

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181091

Sorrisos canónicos

C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O

IUPAC Name

2-(3-hydroxy-1H-indol-2-yl)indol-3-one

InChIKey

QQILFGKZUJYXGS-UHFFFAOYSA-N

INCHI

1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H

SMILES isoméricas

C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O

WGK Alemanha

1

RTECS

DU2988400

Peso molecular

262.26

Beilstein

88275

Reaxy-Rn

37935110

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37935110&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles Aryl ketones Substituted pyrroles Benzenoids Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - Aryl ketone - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Ketimine - Ketone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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

• Solubilidade: Soluble in aniline, nitrobenzene, chloroform
• Ponto de inflamação (°F): >428℉
• Ponto de inflamação (°C): >220℃
• Ponto de fusão (°C): 390-392°C
• Peso molecular: 262.260 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.074 Da
• Monoisotopic Mass: 262.074 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 448.000
• 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: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

What does AR mean?

AR is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 482-89-3, the molecular formula is C16H10N2O2, and the molecular weight is 262.26 g/mol. InChIKey QQILFGKZUJYXGS-UHFFFAOYSA-N.

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.