5-Bromoquinoxaline - ≥95% , CAS No.76982-23-5

CAS: 76982-23-5 Cat. No.: B186522 Summenformel: C₈H₅BrN₂ Molekulargewicht: 209.04 EG-Nummer: 696-197-1

GRADE & PURITY ≥95%

Synonyms

FT-0688561 | PS-3950 | MFCD02181615 | Quinoxaline, 5-bromo- | 5-Bromoquinoxaline, AldrichCPR | EN300-251850 | AM804343 | InChI=1/C8H5BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5 | SY030701 | Z1269202681 | 5-Bromoquinoxaline | DTXSID80346216 | UJEGBESUCWOWNQ-UHF

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

FT-0688561 | PS-3950 | MFCD02181615 | Quinoxaline, 5-bromo- | 5-Bromoquinoxaline, AldrichCPR | EN300-251850 | AM804343 | InChI=1/C8H5BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5 | SY030701 | Z1269202681 | 5-Bromoquinoxaline | DTXSID80346216 | UJEGBESUCWOWNQ-UHF

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528761832

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528761832

Kanonisches Lächeln

C1=CC2=NC=CN=C2C(=C1)Br

IUPAC Name

5-bromoquinoxaline

InChIKey

UJEGBESUCWOWNQ-UHFFFAOYSA-N

INCHI

1S/C8H5BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H

Isomere SMILES

C1=CC2=NC=CN=C2C(=C1)Br

Molekulargewicht

209.04

Reaxy-Rn

6191414

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6191414&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 209.040 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.964 Da
• Monoisotopic Mass: 207.964 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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