4-Hydroxy-8-iodoquinoline - ≥95% , CAS No.49713-50-0

CAS: 49713-50-0 Cat. No.: H1319860 Formula: C₉H₆INO Peso molecolare: 271.05

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC2=C(C(=C1)I)NC=CC2=O

IUPAC Name

8-iodo-1H-quinolin-4-one

InChIKey

WTZKVPWLTHDRNQ-UHFFFAOYSA-N

INCHI

1S/C9H6INO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)

Peso molecolare

271.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Haloquinolines Hydroquinolines Dihydropyridines Benzenoids Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Heteroaromatic compounds Enones Acryloyl compounds Ketones Vinyl iodides Iodoalkenes Dialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Dihydroquinolone - Dihydroquinoline - Dihydropyridine - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Azacycle - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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

• Peso molecolare: 271.050 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 270.949 Da
• Monoisotopic Mass: 270.949 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 227.000
• 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

Domande frequenti

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.

What is the purity of this product?

This product is supplied at ≥95% 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 49713-50-0, the molecular formula is C9H6INO, and the molecular weight is 271.05 g/mol. InChIKey WTZKVPWLTHDRNQ-UHFFFAOYSA-N.