2,6,7-Trichloroquinoxaline

Basic Information

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CAS Number

41213-31-4

Molecular Formula

C8H3Cl3N2

Molecular Weight

233.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=C2C(=CC(=C1Cl)Cl)N=C(C=N2)Cl

InChI

InChI=1S/C8H3Cl3N2/c9-4-1-6-7(2-5(4)10)13-8(11)3-12-6/h1-3H

InChIKey

WKHZLRADDUHIIV-UHFFFAOYSA-N

LogP

3.59

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

190

Synonyms & References

English

2,6,7-Trichloroquinoxaline
2,6,7-Trichloro-quinoxaline
2,6,7-Trichlor-chinoxalin
AK128239
AM807607
CTK8I6538
KB-225994
2,6,7-trichloroquinoxaline
AS-32296
CS-0452246
A849234
41213-31-4
DTXSID90434557
WKHZLRADDUHIIV-UHFFFAOYSA-N
AKOS016013308
Z1269188384
EN300-131355
DA-19066
SB74939
SCHEMBL2552603
MFCD11519427

MDL Number

MFCD11519427

FAQ

What are the physical and chemical properties of 2,6,7-Trichloroquinoxaline (CAS: 41213-31-4)?

2,6,7-Trichloroquinoxaline is a crystalline solid with a molecular weight of approximately 249.02 g/mol. It has a melting point of around 192-194°C and is practically insoluble in water but soluble in organic solvents like ethanol and acetone. It is relatively stable under normal conditions but can react with certain reagents and form complexes.

How is 2,6,7-Trichloroquinoxaline (CAS: 41213-31-4) typically synthesized?

2,6,7-Trichloroquinoxaline can be synthesized via a multistep reaction involving the chlorination of quinoxaline derivatives. Commonly, the reaction involves chlorination of quinoxaline with thionyl chloride in an appropriate solvent. The yield is typically around 80%, and the purity can be enhanced through recrystallization.

What industries use 2,6,7-Trichloroquinoxaline (CAS: 41213-31-4)?

2,6,7-Trichloroquinoxaline is used in the pharmaceutical, polymer, and sensor industries. It serves as a precursor in the synthesis of certain pharmaceutical compounds and can be utilized in the development of polymers and sensors due to its unique electronic and chemical properties.

What precautions should be taken when handling 2,6,7-Trichloroquinoxaline (CAS: 41213-31-4)?

When handling 2,6,7-Trichloroquinoxaline, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be handled carefully, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures. Storage should be in a cool, dry place, away from direct sunlight and heat sources.