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1,1,1,3,3,3-Hexafluoro-2-propanyl 4-methylbenzenesulfonate(CAS: 67674-48-0)

1,1,1,3,3,3-Hexafluoro-2-propanyl 4-methylbenzenesulfonate
CAS Number

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Basic Information

Molecular Formula
C10H8F6O3S
Molecular Weight
322.23 g/mol

Physical Properties

Melting Point
43.0 to 47.0 deg-C
Boiling Point
134°C/22.5mmHg(lit.)
Density
1.464±0.06 g/cm3 (20 ºC 760 Torr),
Flash Point
145.5 ºC

Chemical Identifiers

SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F
InChIKey
QGSVBFAODCJVIZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD00039262
Beilstein Registry Number
4530866

FAQ

This compound must comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), European Union REACH regulations, and local regulatory requirements such as FDA and EPA guidelines. It is classified as a hazardous substance due to its flammability and toxicity. Proper labeling and documentation are required for transportation and storage.
Yes, alternatives include using other sulfonating agents like trifluoromethanesulfonic acid or methanesulfonic acid. Isomers or analogs such as 1,1,1,3,3,3-hexafluoro-2-propanol can also be considered, but they may not have identical properties. Substitutes should be evaluated based on reaction conditions, cost, and availability.
Market trends suggest increasing interest in this compound for its use in pharmaceuticals, particularly in the development of new drugs. Research focuses on its biological activity and environmental impact. However, due to its toxicity and flammability, safety and regulatory compliance are critical areas of focus.
Waste containing this compound should be collected in appropriate containers and stored separately. Professional waste disposal services should be used to ensure safe incineration or other environmentally friendly methods. Strict environmental protection precautions, such as proper containment and minimal exposure, are essential during handling and disposal. Compliance with local hazardous waste regulations is mandatory.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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