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

CAS: 2213-63-0 Cat. No.: D123530 Fórmula: C₈H₄Cl₂N₂ Peso molecular: 199.04 Beilstein Registry Number: 126076 Número CE: 218-667-3

GRAU & PUREZA ≥98%

Synonyms

FT-0609582 | AC-907/25014189 | Tox21_200138 | 5-23-07-00144 (Referência do Manual de Beilstein) | EINECS 218-667-3 | InChI=1/C8H4Cl2N2/c9-7-8(10)12-6-4-1-3-5(6)11-7/h1-4H | 10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N.4 | D2622 | Quinoxalina, dicloro- | NSC815016

Storage

Room temperature

Shipped In

Normal

Visão geral

Reage com 6-aminotiouracilo em etanol/TEA para formar 6-amino-2-(3-cloroquinoxalina-2-iltio)pirimidina-4(3H)-ona. Reage com a colest-5-en-3-ona semicarbazona/tiossemicarbazona para formar colest-5-en-3-oxazolo esteriodal e tiazoloquinoxalina.
Foi utilizado na síntese de quinoxalinas mono e 2,3-dissubstituídas. Foi utilizado na síntese em fase sólida da fase estacionária quiral de HPLC contendo o grupo N,N′-dialquil-2,3-diaminoquinoxalina como estrutura de ligação.

Especificações

Sinónimos

FT-0609582 | AC-907/25014189 | Tox21_200138 | 5-23-07-00144 (Referência do Manual de Beilstein) | EINECS 218-667-3 | InChI=1/C8H4Cl2N2/c9-7-8(10)12-6-4-1-3-5(6)11-7/h1-4H | 10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N.4 | D2622 | Quinoxalina, dicloro- | NSC815016

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488182272

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

RTECS

VD1720000

Número UN

2811

Grupo de embalagem

I

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

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

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Raji (5516 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water; Soluble in Toluene
• Ponto de fusão (°C): 151.0-154.0°C
• Peso molecular: 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