2-(4-Bromophenyl)quinoxaline - ≥96% , CAS No.5021-45-4

CAS: 5021-45-4 Cat. No.: B468164 Fórmula: C₁₄H₉BrN₂ Peso molecular: 285.14 Número EC: 637-118-2

GRADE & PURITY ≥96%

Synonyms

AKOS001326222 | F0381-2652 | LS-07601 | SCHEMBL973317 | CHEMBRDG-BB 5128501 | Z57254540 | SR-01000441211-1 | STK386793 | 2-(4-bromophenyl)quinoxaline | 2-(4-bromo-phenyl)-quinoxaline | DTXSID70354022 | HMS650G21 | Quinoxaline, 2-(4-bromophenyl)- | ChemDiv

Storage

Room temperature

Specifications

Sinónimos

AKOS001326222 | F0381-2652 | LS-07601 | SCHEMBL973317 | CHEMBRDG-BB 5128501 | Z57254540 | SR-01000441211-1 | STK386793 | 2-(4-bromophenyl)quinoxaline | 2-(4-bromo-phenyl)-quinoxaline | DTXSID70354022 | HMS650G21 | Quinoxaline, 2-(4-bromophenyl)- | ChemDiv

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

488191436

Sonrisas canónicas

C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)Br

IUPAC Name

2-(4-bromophenyl)quinoxaline

InChIKey

FXKZRBJBUFVFNR-UHFFFAOYSA-N

INCHI

1S/C14H9BrN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H

Isómeros SMILES

C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)Br

WGK Alemania

3

Peso molecular

285.14

Reaxy-Rn

745905

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=745905&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Bromobenzenes Pyrazines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazine - Heteroaromatic compound - Azacycle - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organobromide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

• Punto de fusión (°C): 133-138 °C
• Peso molecular: 285.140 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 283.995 Da
• Monoisotopic Mass: 283.995 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 251.000
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5021-45-4, the molecular formula is C14H9BrN2, and the molecular weight is 285.14 g/mol. InChIKey FXKZRBJBUFVFNR-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.