8-Bromoquinoline - ≥97% , CAS No.16567-18-3

CAS: 16567-18-3 Cat. No.: B107744 Peso molecular: 208.05 Número EC: 630-629-1

GRADE & PURITY ≥97%

Synonyms

STK893373 | AKOS001476139 | Z839152792 | MFCD00191859 | Quinoline, 8-bromo- | BCP27253 | 8-Bromoquinoline | 8-Bromo-quinoline | BBL020683 | AM20070091 | DTXSID10168009 | FS-2279 | 8-Bromoquinoline, 98% | A851039 | W-205946 | 8-Bromoquinoline # | EN300-558

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Synthesis of 8-(dimesitylboryl)quinolone (ambiphilic molecule);Direct synthesis of 5H-pyrido[3,2,1-ij]quinolin-3-one, via palladium catalyzed coupling reaction with acrolein；Preparation of 8-(1-hydroxyethyl)quinolone

Specifications

Sinónimos

STK893373 | AKOS001476139 | Z839152792 | MFCD00191859 | Quinoline, 8-bromo- | BCP27253 | 8-Bromoquinoline | 8-Bromo-quinoline | BBL020683 | AM20070091 | DTXSID10168009 | FS-2279 | 8-Bromoquinoline, 98% | A851039 | W-205946 | 8-Bromoquinoline # | EN300-558

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504757197
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757197
• Sonrisas canónicas: C1=CC2=C(C(=C1)Br)N=CC=C2
• IUPAC Name: 8-bromoquinoline
• InChIKey: PIWNKSHCLTZKSZ-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
• Isómeros SMILES: C1=CC2=C(C(=C1)Br)N=CC=C2
• WGK Alemania: 3
• CAS alternativo: 1081803-09-9
• Peso molecular: 208.05
• Reaxy-Rn: 115147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115147&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

• Sensibilidad: Light sensitive.
• Índice de refracción: 1.672
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 112-113°C
• Peso molecular: 208.050 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.968 Da
• Monoisotopic Mass: 206.968 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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