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

Basic Information

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CAS Number

67674-48-0

Molecular Formula

C10H8F6O3S

Molecular Weight

322.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

43.0 to 47.0 deg-C

Boiling Point

134°C/22.5mmHg

Density

1.464±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

145.5 ºC

Refractive Index

1.427

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3

InChIKey

QGSVBFAODCJVIZ-UHFFFAOYSA-N

LogP

3.1935200000000012

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

400

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

hexafluoroisopropyl 4-toluenesulfonate
67674-48-0
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate
2-Propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate
NSC-179424
2,2,2-Trifluoro-1-(trifluoromethyl)ethyl toluene-p-sulphonate
1,1,1,3,3,3-Hexafluoroisopropyl Tosylate
FT-0605916
SCHEMBL4125553
H1281
2-Propanol,1,1,1,3,3,3-hexafluoro-,2-(4-methylbenzenesulfonate)
1,1,1,3,3,3-Hexafluoroisopropyl p-Toluenesulfonate
NSC179424
EN300-12579881
Hexafluoroisopropyl tosylate
2-Propanol,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonate
NS00055939
EINECS 266-887-3
CS-0319585
p-Toluenesulfonic Acid 1,1,1,3,3,3-Hexafluoroisopropyl Ester
2,2,2-Trifluoro-1-(trifluoromethyl)ethyl 4-methylbenzenesulfonate #
BS-48191
AKOS003788890
DTXSID70886858
SY049931
Toluene-4-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester
AMY6869
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzene-1-sulfonate
1,1,1,3,3,3-hexafluoroisopropyl 4-toluenesulphonate
NSC 179424
D91024

MDL Number

MFCD00039262

Customs Code

29049090

FAQ

What regulatory guidelines apply to 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-methylbenzenesulfonate (CAS: 67674-48-0)?

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.

Are there alternatives to 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-methylbenzenesulfonate (CAS: 67674-48-0) in its synthesis?

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.

What is the market or research trend for 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-methylbenzenesulfonate (CAS: 67674-48-0)?

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.

How should waste containing 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-methylbenzenesulfonate (CAS: 67674-48-0) be handled?

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.