3,7-Dibromo-4-hydroxyquinoline - ≥98% , CAS No.1203579-53-6

CAS: 1203579-53-6 Cat. No.: D166472 Fórmula: C₉H₅Br₂NO Peso molecular: 302.95 Número EC: 802-574-5 PubChem CID: 45599543

GRADE & PURITY ≥98%

Synonyms

DTXSID30671085 | 3,7-Dibromoquinolin-4(1H)-one | 3,7-Dibromoquinolin-4-ol | 3,7-dibromo-1H-quinolin-4-one | 1203579-53-6 | MFCD13192872 | 3,7-Dibromo-4-hydroxyquinoline, AldrichCPR | 3,7-Dibromo-4-hydroxyquinoline

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID30671085 | 3,7-Dibromoquinolin-4(1H)-one | 3,7-Dibromoquinolin-4-ol | 3,7-dibromo-1H-quinolin-4-one | 1203579-53-6 | MFCD13192872 | 3,7-Dibromo-4-hydroxyquinoline, AldrichCPR | 3,7-Dibromo-4-hydroxyquinoline

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770612
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770612
• Sonrisas canónicas: C1=CC2=C(C=C1Br)NC=C(C2=O)Br
• IUPAC Name: 3,7-dibromo-1H-quinolin-4-one
• InChIKey: FCRKTWYWSKVPGU-UHFFFAOYSA-N
• INCHI: 1S/C9H5Br2NO/c10-5-1-2-6-8(3-5)12-4-7(11)9(6)13/h1-4H,(H,12,13)
• Isómeros SMILES: C1=CC2=C(C=C1Br)NC=C(C2=O)Br
• WGK Alemania: 3
• PubChem CID: 45599543
• Peso molecular: 302.95

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 302.950 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 302.872 Da
• Monoisotopic Mass: 300.874 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 264.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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 1203579-53-6, the molecular formula is C9H5Br2NO, and the molecular weight is 302.95 g/mol. InChIKey FCRKTWYWSKVPGU-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.