8-Bromo-4-hydroxyquinoline - ≥97% , CAS No.57798-00-2

CAS: 57798-00-2 Cat. No.: W133925 Fórmula: C₉H₆BrNO Peso molecular: 224.05 Número CE: 804-020-8 PubChem CID: 12403682

GRADE & PURITY ≥97%

Synonyms

4-Quinolinol, 8-bromo- | F10438 | SCHEMBL18706 | 8-Bromoquinoline-4-ol | SCHEMBL4208511 | 8-Bromo-quinolin-4-ol | 8-bromoquinolin-4-ol | AKOS009581024 | DTXSID40973385 | MFCD00272389 | 8-Bromo-4-hydroxyquinoline | AC-24339 | FT-0763969 | 8-Bromo-4-hydroxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Quinolinol, 8-bromo- | F10438 | SCHEMBL18706 | 8-Bromoquinoline-4-ol | SCHEMBL4208511 | 8-Bromo-quinolin-4-ol | 8-bromoquinolin-4-ol | AKOS009581024 | DTXSID40973385 | MFCD00272389 | 8-Bromo-4-hydroxyquinoline | AC-24339 | FT-0763969 | 8-Bromo-4-hydroxy

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504767092

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767092

Sorrisos canónicos

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

IUPAC Name

8-bromo-1H-quinolin-4-one

InChIKey

HLALMUWUZUGIGR-UHFFFAOYSA-N

INCHI

1S/C9H6BrNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)

SMILES isoméricas

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

WGK Alemanha

3

PubChem CID

12403682

Peso molecular

224.05

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 Pyridines and derivatives Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Haloquinoline - Dihydroquinoline - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 224.050 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.963 Da
• Monoisotopic Mass: 222.963 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 57798-00-2, the molecular formula is C9H6BrNO, and the molecular weight is 224.05 g/mol. InChIKey HLALMUWUZUGIGR-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.