Quinoxaline - ≥99%(GC) , CAS No.91-19-0

CAS: 91-19-0 Cat. No.: Q160826 Molecular Weight: 130.15 Beilstein Registry Number: 109351 EC Number: 202-047-4 PubChem CID: 7045

GRADE & PURITY ≥99%(GC)

Synonyms

Quinoxaline, analytical standard | doi:10.14272/XSCHRSMBECNVNS-UHFFFAOYSA-N.1 | EN300-21366 | QM4AR6M6T8 | CCRIS 2947 | CHEBI:36616 | DTXSID6049432 | QUINOXALINE [MI] | 1,4-Naphthyridine | UNII-QM4AR6M6T8 | USAF EK-7094 | 1,4-Benzodiazine | Z104495568 | F

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

Used as dyes, pharmaceuticals and antibiotics intermediate

Specifications

Synonyms

Quinoxaline, analytical standard | doi:10.14272/XSCHRSMBECNVNS-UHFFFAOYSA-N.1 | EN300-21366 | QM4AR6M6T8 | CCRIS 2947 | CHEBI:36616 | DTXSID6049432 | QUINOXALINE [MI] | 1, 4-Naphthyridine | UNII-QM4AR6M6T8 | USAF EK-7094 | 1, 4-Benzodiazine | Z104495568 | F

Specifications & Purity

≥99%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504751233
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751233
• Canonical Smiles: C1=CC=C2C(=C1)N=CC=N2
• IUPAC Name: quinoxaline
• InChIKey: XSCHRSMBECNVNS-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
• Isomeric SMILES: C1=CC=C2C(=C1)N=CC=N2
• WGK Germany: 3
• RTECS: VD1225000
• PubChem CID: 7045
• Molecular Weight: 130.15
• Beilstein: 109351
• Reaxy-Rn: 109351

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 Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - 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: Pesticides

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

Associated Targets(Human)

AOX1 Tchem Aldehyde oxidase (429 Activities)

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IMR-32 (1082 Activities)

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SK-N-SH (1499 Activities)

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HepG2 (196354 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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Associated Targets(non-human)

ftsZ Cell division protein ftsZ (97 Activities)

Discover Target: ftsZ

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Staphylococcus aureus (210822 Activities)

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Enterococcus faecalis (29875 Activities)

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Plasmodium falciparum (966862 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 98 °C
• Boil Point(°C): 220-223 °C (lit.)
• Melt Point(°C): 29-32 °C (lit.)
• Molecular Weight: 130.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.053 Da
• Monoisotopic Mass: 130.053 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.800
• 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

References

1. Shijie Wang, Shenghan Zhang, Zhenye Zhang, Yu Tan, Kexin Liang, Xinliang Guo, Xuhui Kong.  (2023)  Reversible electrochemical hydrogen storage of quinoxaline utilizing Pd/NF dual-function electrocatalyst under mild conditions.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2023.07.089]

2. Jianling Wei, Zhengyang Wu, Tingting Chai, Fanyu He, Yuewen Chen, Xiuping Dong, Yugang Shi.  (2022)  Effect of the combination of low temperature vacuum heating with tea polyphenol on AGEs in sturgeon fillets.  INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,  57  (7): (4065-4075).  [PMID:] [10.1111/ijfs.15721]

3. He Meng, Li Rui, Cheng Chuanqi, Liu Cuibo, Zhang Bin.  (2024)  Microenvironment regulation breaks the Faradaic efficiency-current density trade-off for electrocatalytic deuteration using D2O.  Nature Communications,  15  (1): (1-10).  [PMID:38898044] [10.1038/s41467-024-49544-y]

4. Zhiyuan Xiao, Ruiping Zhang, Mengyue Lu, Qiang Ma, Zhuo Li, Huaneng Su, Huanhuan Li, Qian Xu.  (2025)  Numerical Simulation of Impact of Different Redox Couples on Flow Characteristics and Electrochemical Performance of Deep Eutectic Solvent Electrolyte Flow Batteries.  Batteries-Basel,  11  (1): (18).  [PMID:] [10.3390/batteries11010018]

5. Huifeng Deng, Yanqun Yang, Jianbin Ju, Yu Jiang, Xiaowen Huang, Zhenyu Li, Rui Shi, Guihua Ruan, Yipeng Huang.  (2024)  Rapid analysis of six cytokinins in tomato plants using phenylboronic acid and ionic liquid functionalized monolithic capillary column combined with UHPLC-MS/MS.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39580982] [10.1016/j.chroma.2024.465540]