2,3-Dichloroquinoxaline - ≥98% , CAS No.2213-63-0

CAS: 2213-63-0 Cat. No.: D123530 Formule: C₈H₄Cl₂N₂ Poids moléculaire: 199.04 Beilstein Registry Number: 126076 Numéro CE: 218-667-3

QUALITÉ & PURETÉ ≥98%

Synonyms

FT-0609582 | AC-907/25014189 | Tox21_200138 | 5-23-07-00144 (Beilstein Handbook Reference) | EINECS 218-667-3 | InChI=1/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H | 10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N.4 | D2622 | Quinoxaline, dichloro- | NSC815016 |

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

It reacts with 6-aminothiouracil in ethanol/TEA to form 6-amino-2-(3-chloroquinoxalin-2-ylthio)pyrimidin-4(3H)-one. It reacts with cholest-5-en-3-one semicarbazone/thiosemicarbazone to form steriodal cholest-5-en-3-oxazolo and thiazoloquinoxaline.
It was used in the synthesis of mono and 2,3-disubstituted quinoxalines. It was used in solid phase synthesis of HPLC chiral stationary phase containing the N,N′-dialkyl-2,3-diaminoquinoxaline group as a linking structure.

Spécifications

Synonymes

FT-0609582 | AC-907/25014189 | Tox21_200138 | 5-23-07-00144 (Beilstein Handbook Reference) | EINECS 218-667-3 | InChI=1/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H | 10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N.4 | D2622 | Quinoxaline, dichloro- | NSC815016 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488182272

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182272

Sourires canoniques

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

IUPAC Name

2,3-dichloroquinoxaline

InChIKey

SPSSDDOTEZKOOV-UHFFFAOYSA-N

INCHI

1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

Isomères SMILES

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

WGK Allemagne

3

RTECS

VD1720000

Numéro ONU

2811

Groupe d'emballage

I

Poids moléculaire

199.04

Beilstein

126076

Reaxy-Rn

126076

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126076&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: 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

Cibles associées (humaines)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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KCNH2 Tclin HERG (29587 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Cibles associées (non humaines)

Escherichia coli (133304 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Toluene
• Point de fusion (°C): 151.0-154.0°C
• Poids moléculaire: 199.030 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.975 Da
• Monoisotopic Mass: 197.975 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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