Quinoxaline N-oxide - ≥98% , CAS No.6935-29-1

CAS: 6935-29-1 Cat. No.: Q340444 Molecular Weight: 146.15 EC Number: 623-145-7 PubChem CID: 23363

GRADE & PURITY ≥98%

Synonyms

NSC48942 | NSC-48942 | InChI=1/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H | 1-Oxide quinoxaline | Quinoxaline N-oxide, 97% | NSC193509 | NSC-193509 | Q0108 | Quinoxaline 1-oxide | Quinoxaline N-oxide | Quinoxaline mono-N-oxide | NSC195320 | NSC-195320 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Product Application:

Coupling partner in Pd-catalyzed direct arylation reactions.

Specifications

Synonyms

NSC48942 | NSC-48942 | InChI=1/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H | 1-Oxide quinoxaline | Quinoxaline N-oxide, 97% | NSC193509 | NSC-193509 | Q0108 | Quinoxaline 1-oxide | Quinoxaline N-oxide | Quinoxaline mono-N-oxide | NSC195320 | NSC-195320 |

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182820
• Canonical Smiles: C1=CC=C2C(=C1)N=CC=[N+]2[O-]
• IUPAC Name: 1-oxidoquinoxalin-1-ium
• InChIKey: OARGFWQSVACNCO-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H
• Isomeric SMILES: C1=CC=C2C(=C1)N=CC=[N+]2[O-]
• WGK Germany: 3
• RTECS: VD3520000
• PubChem CID: 23363
• UN Number: 3335
• Packing Group: III
• Molecular Weight: 146.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazinium compounds Pyrazines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Pyrazinium - Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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

Chemical and Physical Properties

• Sensitivity: light & Moisture & heat & air sensitive
• Melt Point(°C): 121-125° C
• Molecular Weight: 146.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.048 Da
• Monoisotopic Mass: 146.048 Da
• Topological Polar Surface Area: 38.400 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