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

CAS: 5021-45-4 Cat. No.: B468164 Formule: C₁₄H₉BrN₂ Poids moléculaire: 285.14 Numéro CE: 637-118-2

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Pureté

≥96%

Noms et identifiants

Pubchem Sid

488191436

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 133-138 °C
• Poids moléculaire: 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

Foire aux questions

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.