3,5-Difluorobenzenethiol

Basic Information

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CAS Number

99389-26-1

Molecular Formula

C6H4F2S

Molecular Weight

146.16 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

155.8℃ at 760 mmHg

SMILES

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C1=C(C=C(C=C1F)S)F

InChI

InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChIKey

LFYVNHDFVIPZHV-UHFFFAOYSA-N

LogP

2.2535

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

87.1

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3,5-difluorobenzene-1-thiol
AKOS005256319
3,5-Difluoro Thiophenol
99389-26-1
BENZENETHIOL, 3,5-DIFLUORO-
SCHEMBL458103
CS-W023131
FT-0735208
LFYVNHDFVIPZHV-UHFFFAOYSA-N
3,5-Difluorothiophenol
A846015
3,5-Difluorophenyl mercaptan
3,5-difluorothiophenol, AldrichCPR
PS-11927
DTXSID40374297
3,5-difluorobenzenethiol
EN300-673748
MFCD06201795
3,5-DIFLUORO-BENZENETHIOL
3,5-Difluorobenzenethiol
PubChem6884
3,5-bis(fluoranyl)benzenethiol
FCH921166
BBL103584
PC5677
SBB086487
STL557394
AK142981
AB0019786
ST24041232
V0288

MDL Number

MFCD06201795

FAQ

What regulatory guidelines apply to 3,5-Difluorobenzenethiol (CAS: 99389-26-1)?

3,5-Difluorobenzenethiol (CAS: 99389-26-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a flammable liquid. It is also subject to the European Union's REACH regulations, which require manufacturers and importers to register substances with the European Chemicals Agency (ECHA). Additionally, the U.S. FDA and EPA may have specific labeling and reporting requirements for this compound in certain applications.

Are there alternatives to 3,5-Difluorobenzenethiol (CAS: 99389-26-1) in synthesis?

Alternatives to 3,5-Difluorobenzenethiol include other thiol derivatives like 2,4-difluorobenzenethiol or 3,5-difluorobenzenesulfonic acid. In synthesis, chemists may opt for isomers or analogs such as 3,4-difluorobenzenethiol or 2,5-difluorobenzenethiol, which can offer similar reactivity but with different physical and chemical properties.

What is the market or research trend for 3,5-Difluorobenzenethiol (CAS: 99389-26-1)?

The research trend for 3,5-Difluorobenzenethiol (CAS: 99389-26-1) is focused on its use as a reagent in organic synthesis, particularly in the preparation of fluoroalkylated compounds. Market demand is growing due to its application in the development of pharmaceuticals and functional materials. Studies are also exploring its potential in catalysis and as a component in coatings and adhesives.

How should waste containing 3,5-Difluorobenzenethiol (CAS: 99389-26-1) be handled?

Waste containing 3,5-Difluorobenzenethiol (CAS: 99389-26-1) should be collected in appropriate containers and stored in a well-ventilated area. For disposal, it is recommended to incinerate the waste or use a professional waste disposal service that can handle hazardous chemicals. Proper personal protective equipment (PPE) should be worn, and environmental protection precautions, such as neutralizing the waste before disposal, should be followed to prevent contamination.