2-chloroquinoxaline - ≥97% , CAS No.1448-87-9

CAS: 1448-87-9 Cat. No.: C132475 Formula: C₈H₅ClN₂ Molecular Weight: 164.59 EC Number: 215-905-8

GRADE & PURITY ≥97%

Synonyms

C3492 | MFCD00043907 | 2-chloro-benzopyrazine | 2-Chloroquinoxaline, 98% | NSC43553 | NSC-43553 | QUINOXALINE, 2-CHLORO | Quinoxaline, 2-chloro- | I0842 | PB40703 | Z3068705955 | doi:10.14272/BYHVGQHIAFURIL-UHFFFAOYSA-N.2 | FT-0633549 | A811315 | 10.14272

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Usually used to study the effect of solvent on hydrolysis of QCI in aqueous–organic solvent mixtures with acetonitrile and dimethylesulphoxide,used in the synthesis of 2-(3-butynyl-2-methyl-2-ol) quinoxaline,used as reagent in the synthesis of chloroquinoxaline sulfamide.

Specifications

Synonyms

C3492 | MFCD00043907 | 2-chloro-benzopyrazine | 2-Chloroquinoxaline, 98% | NSC43553 | NSC-43553 | QUINOXALINE, 2-CHLORO | Quinoxaline, 2-chloro- | I0842 | PB40703 | Z3068705955 | doi:10.14272/BYHVGQHIAFURIL-UHFFFAOYSA-N.2 | FT-0633549 | A811315 | 10.14272

Specifications & Purity

≥97%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488188912

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188912

Canonical Smiles

C1=CC=C2C(=C1)N=CC(=N2)Cl

IUPAC Name

2-chloroquinoxaline

InChIKey

BYHVGQHIAFURIL-UHFFFAOYSA-N

INCHI

1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)Cl

WGK Germany

3

Molecular Weight

164.59

Reaxy-Rn

117284

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117284&ln=

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: Pyrazines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Pyrazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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

• Solubility: Soluble in Toluene
• Boil Point(°C): 100 °C/1.4 mmHg
• Melt Point(°C): 48 °C
• Molecular Weight: 164.590 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.014 Da
• Monoisotopic Mass: 164.014 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1448-87-9, the molecular formula is C8H5ClN2, and the molecular weight is 164.59 g/mol. InChIKey BYHVGQHIAFURIL-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.