2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate

Basic Information

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CAS Number

79963-95-4

Molecular Formula

C6H2F12O3S

Molecular Weight

382.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Boiling Point

141°C

Density

1.636 g/mL at 25 °C

Refractive Index

n20/D 1.326(lit.)

SMILES

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C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2

InChIKey

KJGYBFLEIPDFNQ-UHFFFAOYSA-N

LogP

3.3208

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

494

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class TOXIC Class TOXIC

Class CORROSIVE Class CORROSIVE

Synonyms & References

English

2,2,2-Trifluoroethyl perfluorobutylsulfonate
FT-0654344
2,2,2-Trifluoroethyl Perfluorobutanesulfonate
A839794
NS00019245
SY050453
Nonafluorobutanesulfonic Acid 2,2,2-Trifluoroethyl Ester
2,2,2-Trifluoroethyl Nonafluorobutanesulfonate
79963-95-4
MFCD03093638
AKOS015852770
2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
2,2,2-tris(fluoranyl)ethyl 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate
2,2,2-Trifluoroethyl perfluorobutanesulphonate
2,2,2-trifluoroethylnonaflate
C6H2F12O3S
2,2,2-trifluoroethanol perfluorobutanesulphonate
SCHEMBL286439
2,2,2-trifluoroethyl nonafluorobutanesulphonate
Perfluorobutanesulfonic Acid 2,2,2-Trifluoroethyl Ester
trifluoroethanol perfluorobutanesulphonate
2,2,2-trifluoroethyl1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
2,2,2-Trifluoroethyl perfluorobutylsulfonate, 95%
D91761
DTXSID60380390
N0677
CS-0199242
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid 2,2,2-trifluoroethyl ester
2,2,2-TRIFLUOROETHYL PERFLUOROBUTANE SULFONAT

MDL Number

MFCD03093638

FAQ

What are the physical and chemical properties of 2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate (CAS: 79963-95-4)?

2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate (CAS: 79963-95-4) is a colorless, highly fluorinated compound. It has a high molecular weight and low solubility in water but is soluble in common organic solvents. The compound is moderately reactive, showing some reactivity towards nucleophiles. It crystallizes in a prismatic form at room temperature.

How is 2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate (CAS: 79963-95-4) typically synthesized?

2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate is typically synthesized through a series of fluorination and sulfonation reactions. The process involves the use of trifluoroethyl chloride and nonafluoro-1-butanesulfonyl fluoride as precursors. Catalysts such as aluminum chloride are often used to enhance the reaction selectivity and yield.

What industries use 2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate (CAS: 79963-95-4)?

2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate (CAS: 79963-95-4) is used in various industries, including pharmaceuticals for synthesis of active pharmaceutical ingredients (APIs), in polymers for enhancing material properties, in sensors for detection applications, and in semiconductor manufacturing for etching and cleaning processes.

What precautions should be taken when handling 2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate (CAS: 79963-95-4)?

When handling 2,2,2-Trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate (CAS: 79963-95-4), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly flushed with water. Refer to the safety data sheet (SDS) for detailed handling and disposal information.