3-Chloro-2-fluorobenzenethiol

Basic Information

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CAS Number

1121585-29-2

Molecular Formula

C6H4ClFS

Molecular Weight

162.62 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

210 ºC

Flash Point

80 ºC

SMILES

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Fc1c(S)cccc1Cl

InChI

InChI=1S/C6H4ClFS/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

InChIKey

WCHYILNTRVGWBN-UHFFFAOYSA-N

LogP

2.7678000000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

3-Chloro-2-fluorobenzenethiol
3-CHLORO-2-FLUORO THIOPHENOL
AG-A-58668
CTK7B7904
KB-235508
QC-7376
SureCN944693
3-chloro-2-fluorobenzene-1-thiol

MDL Number

MFCD12026158

FAQ

What regulatory guidelines apply to 3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2)?

3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous substance. For specific regulatory requirements, it must comply with REACH regulations in the European Union, including registration, authorization, and restriction. In the United States, FDA and EPA have their own guidelines for handling and use, particularly in pharmaceutical and environmental applications.

Are there alternatives to 3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2) in synthesis?

Various alternatives to 3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2) can be used depending on the specific synthetic route. Common alternatives include 2-Chloro-3-fluorobenzenethiol and 3-Bromo-2-fluorobenzenethiol. Other substitutions can be made by altering the chloro or fluoro groups with other functionalities such as methyl or ethyl groups, depending on the desired properties and reactivity.

What is the market or research trend for 3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2)?

The market for 3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2) is primarily driven by its applications in pharmaceuticals, agrochemicals, and materials science. Research trends indicate increasing interest in its use as a precursor in the synthesis of dyes, pigments, and pharmaceutical intermediates. Market trends suggest a steady demand due to its unique reactivity and chemical properties, though price fluctuations may occur based on supply and demand dynamics.

How should waste containing 3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2) be handled?

Waste containing 3-Chloro-2-fluorobenzenethiol (CAS: 1121585-29-2) should be collected and disposed of in accordance with local and international regulations. It is recommended to neutralize the waste and then incinerate it or use professional waste disposal services. Proper environmental protection measures, including the use of personal protective equipment and appropriate containment, should be taken to prevent contamination of air, water, and soil. Safety data sheets (SDS) should be consulted for specific handling instructions and emergency procedures.