3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol

Basic Information

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CAS Number

34451-26-8

Molecular Formula

C8H5F13S

Molecular Weight

380.17 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Boiling Point

58 °C

Flash Point

56.8°C

Refractive Index

1.321

SMILES

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C(CS)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H5F13S/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2

InChIKey

GTPHVVCYEWPQFE-UHFFFAOYSA-N

LogP

5.0451000000000015

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

395

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

Synonyms & References

English

SCHEMBL419565
E83908
34451-26-8
1,1,2,2-Tetrahydroperfluorooctanethiol
3,3,4,4,5,5,6,6,7,7,8,8,8 Tridecafluoro-1-octanethiol
1,1,2,2-Tetrahydroperfluorooctyl mercaptan
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octane-1-thiol
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol, 97%
A822243
AKOS015898790
DTXSID20379947
1-Octanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
UNII-66E2ZQ1P07
FT-0639192
MFCD00792427
NS00018957
1h,1h,2h,2h-perfluorooctane-1-thiol
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol
2-(Perfluorohexyl)ethanethiol
66E2ZQ1P07
Q27263989
1H,1H,2H,2H-Perfluoro-1-octanethiol
1h,1h,2h,2h-perfluorooctyl-1-thiol
AS-81364
1H,1H,2H,2H-Perfluorooctanethiol
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol
1,1,2,2-tetrahydroperfluorooctanethiol
1H,1H,2H,2H-Perfluorooctyl mercaptan
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanethiol

MDL Number

MFCD00792427

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol (CAS: 34451-26-8)?

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol (CAS: 34451-26-8) is a colorless liquid with a high boiling point and low volatility. Its molecular weight is approximately 437.6 g/mol. It has minimal solubility in water but is highly soluble in organic solvents. Chemically, it reacts with strong acids to form thiocarboxylic acid derivatives. It is stable under normal conditions but should be handled with care due to its flammability and potential for inhalation hazards.

How is 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol (CAS: 34451-26-8) typically synthesized?

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol can be synthesized through the reaction of 1-tridecafluoro-1-octene with hydrogen sulfide in the presence of a palladium catalyst. The process involves selective hydrogenation of the alkene to form the thiol, with high yield and good purity. Catalysts such as Pd/C or Pd(OAc)2 are commonly used to ensure high selectivity and yield.

What industries use 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol (CAS: 34451-26-8)?

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol is used in the pharmaceutical industry as a precursor for synthesis of biologically active compounds. It is also utilized in the polymer industry for modifying the surface properties of polymers and in the sensor industry for developing highly sensitive gas detection systems. Additionally, it plays a role in the semiconductor industry, where it is used in cleaning and passivation processes.

What precautions should be taken when handling 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol (CAS: 34451-26-8)?

When handling 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol (CAS: 34451-26-8), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a cool, well-ventilated area away from oxidizers and heat sources. Spills should be cleaned up immediately with care, using appropriate containment and disposal methods. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.