Indigotin - ≥97% , CAS No.482-89-3

CAS: 482-89-3 Cat. No.: I104186 Formula: C₁₆H₁₀O₂N₂ Peso molecolare: 262.26 Beilstein Registry Number: 88275 Numero EC: 207-586-9

GRADE & PURITY ≥97%

Synonyms

(2E)-2-(3-oxoindolin-2-ylidene)indolin-3-one | (2E)-2,2'-biindole-3,3'(1H,1'H)-dione | .DELTA.2,2'-Bipseudoindoxyl | indigo B | 2001554-70-5 | CI 73000 [INCI] | CI Vat Blue 1 | D&C Blue No. 6 [II] | NSC-8645 | SCHEMBL56085 | SMR000857361 | C.I. 73000 | Di

Storage

Desiccated,Room temperature

Shipped In

Normal

Panoramica

Indigo has been used as a dye to measure food consumption in Drosophila. It has also been used to investigate the ability of fungal strains in the degradation and decolorization of indigo dye

Specifications

Sinonimi

(2E)-2-(3-oxoindolin-2-ylidene)indolin-3-one | (2E)-2,2'-biindole-3,3'(1H,1'H)-dione | .DELTA.2,2'-Bipseudoindoxyl | indigo B | 2001554-70-5 | CI 73000 [INCI] | CI Vat Blue 1 | D&C Blue No. 6 [II] | NSC-8645 | SCHEMBL56085 | SMR000857361 | C.I. 73000 | Di

Specifiche e purezza

≥97%

Meccanismi biochimici e fisiologici

Indigo is a rich blue color dye. It can be extracted from plants of genus Indigofera and can also be produced synthetically. Indigo is a vat textile dye, widely used on cellulosic fibers like cotton. Additionally, it is also used to inhibit corrosion of m

Condizioni di conservazione di stoccaggio

Desiccated,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504751914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751914
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
• WGK Germania: 1
• RTECS: DU2988400
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility in water: Practically insoluble; Soluble in Aniline,Chloroform,NitroBenzene; Very slightly soluble in Ether,Alcohol
• Punto di infiammabilità (°F): >428℉
• Punto di infiammabilità (°C): >220℃
• Punto di fusione (°C): 390-392°C
• Peso molecolare: 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