2,2,2-Trifluoroethyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

433-06-7

Molecular Formula

C9H9F3O3S

Molecular Weight

254.23 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

38.0 to 42.0 deg-C

Boiling Point

104°C/0.8mmHg

Refractive Index

1.521

SMILES

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

InChI

InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3

InChIKey

IGKCQDUYZULGBM-UHFFFAOYSA-N

LogP

2.26262

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

310

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Moisture Sensitive

Synonyms & References

English

SCHEMBL68796
trifluorethyltosylate
2,2,2-trifluoroethyl-4-toluenesulphonate
2,2,2-Trifluoroethyl 4-methylbenzenesulfonate
DTXSID90883384
433-06-7
IGKCQDUYZULGBM-UHFFFAOYSA-
Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate
p-Toluenesulfonic Acid 2,2,2-Trifluoroethyl Ester
NSC77401
MFCD00000443
Ethanol,2,2-trifluoro-, p-toluenesulfonate
SY020925
EN300-30885
2,2,2-trifluoro-ethyl tosylate
2,2,2-trifluoroethyl-p-toluenesulfonate
trifluoroethyl tosylate
2,2,2-trifluoroethyl-p-toluene sulfonate
2,2,2-trifluoroethyl-4-toluenesulfonate
NCIOpen2_003878
Trifluoroethanol tosylate
AC-25712
CS-0044805
AM20040468
EINECS 207-085-5
2,2,2-trifluoroethyl-(4-methylphenyl)sulfonate
2,2,2-Trifluoroethyltosylate
AKOS003242104
2,2,2-trifluoroethyl 4-methylbenzene-1-sulfonate
Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)
2,2,2-Trifluoroethyl p-toluenesulfonate

MDL Number

MFCD00000443

Customs Code

2905590090

FAQ

What regulatory guidelines apply to 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7)?

2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7) is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is subject to the European Union's REACH regulations, which require registration, evaluation, authorization, and restriction of chemical substances. In the United States, it is regulated by the EPA and FDA for environmental and health safety. Proper handling, storage, and disposal must comply with these regulatory guidelines.

Are there alternatives to 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7) in synthesis?

While 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7) is a useful reagent in organic synthesis, there are alternative compounds such as trifluoroethyl 4-chlorobenzenesulfonate and trifluoroethyl benzenesulfonate. These alternatives may offer similar functionalities but with different reactivity and stability, making them suitable for different synthetic routes.

What is the market or research trend for 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7)?

The market for 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7) is growing due to its use in pharmaceuticals, agrochemicals, and material science. Research trends focus on exploring its applications in developing new drug molecules and as a protective group in synthetic chemistry. Market dynamics are influenced by increasing demand from the pharmaceutical industry and advancements in green chemistry approaches.

How should waste containing 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7) be handled?

Waste containing 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS: 433-06-7) should be collected and stored in appropriate containers lined with absorbent materials to prevent leakage. Disposal must follow local and international regulations, often involving incineration or professional waste disposal services. Environmental protection precautions include ensuring containment to prevent groundwater or soil contamination. Proper documentation and labeling are essential for safe handling and disposal.