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

CAS: 2213-63-0 Cat. No.: D123530 Summenformel: C₈H₄Cl₂N₂ Molekulargewicht: 199.04 Beilstein Registry Number: 126076 EG-Nummer: 218-667-3

QUALITÄT & REINHEIT ≥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

Übersicht

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.

Spezifikationen

Synonyme

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 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488182272

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

RTECS

VD1720000

UN-Nummer

2811

Verpackungsgruppe

I

Molekulargewicht

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
    • 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 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
• 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

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

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KCNH2 Tclin HERG (29587 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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Raji (5516 Activities)

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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Escherichia coli (133304 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Toluene
• Schmelzpunkt (°C): 151.0-154.0°C
• Molekulargewicht: 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