374008
2,2,2-Trifluoroethanethiol
95%
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About This Item
Linear Formula:
CF3CH2SH
CAS Number:
Molecular Weight:
116.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
95%
Form:
liquid
vapor pressure
7.85 psi ( 20 °C)
Quality Level
assay
95%
form
liquid
refractive index
n20/D 1.352 (lit.)
bp
34-35 °C (lit.)
density
1.305 g/mL at 25 °C (lit.)
functional group
fluoro, thiol
SMILES string
FC(F)(F)CS
InChI
1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2
InChI key
RYRLLAOLJVDVNN-UHFFFAOYSA-N
General description
2,2,2-Trifluoroethanethiol is a fluorinated thiol. The microwave spectrum of 2,2,2-trifluoroethanethiol, and its deuterated species, CF3CH2SD has been studied. The gas phase acidity and basicity of 2,2,2-trifluoroethanethiol (TFET) has been investigated by Fourier transform ion cyclotron resonance spectroscopy. Reaction of 2,2,2-trifluoroethanethiol on Mo(110) surface was studied using temperature-programmed section, Auger electron and infrared spectroscopies.
2,2,2-Trifluoroethanethiol is basic in nature and forms charge transfer complexes with molecular iodine.
Application
- Advancements in Peptide Synthesis: A novel synthesis of β-thiol phenylalanine showcases the use of 2,2,2-Trifluoroethanethiol in facilitating one-pot ligation-desulfurization chemistry. This technique is pivotal for developing new peptide-based pharmaceuticals, enhancing both the efficiency and versatility of peptide synthesis (Malins et al., 2015).
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-11.2 °F - closed cup
flash_point_c
-24 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
Regulatory Information
危险化学品
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Intrinsic acidity and basicity of 2, 2, 2-trifluoroethanethiol. The first experimental and theoretical study.
Molina MT, et al.
The Journal of Organic Chemistry, 61(16), 5485-5491 (1996)
Intrinsic (gas-phase) basicities and stability of charge-transfer complexes in solution.
Bouab W, et al.
Journal of Physical Organic Chemistry, 10(5), 343-346 (1997)
Harald Møllendal
The journal of physical chemistry. A, 112(32), 7481-7487 (2008-07-22)
The microwave spectrum of 2,2,2-trifluoroethanethiol, CF3CH2SH, and of one deuterated species, CF3CH2SD, has been investigated in the 7-80 GHz spectral interval. The microwave spectra of the ground and three vibrationally excited states belonging to three different normal modes of one
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 374008-10G | 04061837866203 |
| 374008-1G | 04061837866210 |