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4-[(Trifluoromethyl)sulfanyl]benzaldehyde(CAS: 4021-50-5)

4-[(Trifluoromethyl)sulfanyl]benzaldehyde
CAS Number

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Basic Information

Molecular Formula
C8H5F3OS
Molecular Weight
206.19 g/mol

Physical Properties

Melting Point
29-31 °C (lit.)
Boiling Point
85°C/10mmHg(lit.)

Chemical Identifiers

SMILES
C1=CC(=CC=C1C=O)SC(F)(F)F
InChIKey
OPAXHVNZGUGCKW-UHFFFAOYSA-N

Database References

MDL Number
MFCD00129191
Beilstein Registry Number
2328411

FAQ

4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5) is a crystalline solid with a molecular weight of approximately 242.09 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is highly reactive due to the presence of the trifluoromethyl sulfanyl group, which can participate in electrophilic substitution reactions and nucleophilic addition reactions.
4-[(Trifluoromethyl)sulfanyl]benzaldehyde is typically synthesized via the reduction of 4-[(trifluoromethyl)thio]benzoyl chloride with sodium borohydride. This method provides good selectivity and yield. Other methods include the direct sulfonation of 4-chlorobenzaldehyde with trifluoromethyl sulfide followed by hydrogenation.
4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5) is used in the pharmaceutical industry as a starting material for the synthesis of drugs. It is also found in the polymer industry for the modification of polymer properties. Additionally, it is used in the synthesis of chemical sensors, semiconductors, and as a reagent in analytical chemistry.
Proper handling of 4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5) requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, dry place, away from sources of heat and ignition. Use a fume hood during synthesis and handling to minimize exposure. In case of a spill, neutralize with a suitable absorbent and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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