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2,2,2-Trifluoroethan(ol-d) is a deuterated compound characterized by the substitution of hydrogen on the –OH group with deuterium. This unique property endows it with distinct chemical and physical characteristics compared to its non-deuterated counterpart, making it valuable for various applications in scientific research and industry.

77568-66-2

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77568-66-2 Usage

Uses

Used in Chemical Synthesis:
2,2,2-Trifluoroethan(ol-d) is utilized as a reagent or intermediate in the synthesis of various organic compounds. Its deuterated nature allows for the tracking of chemical reactions and the study of reaction mechanisms, providing valuable insights into the behavior of molecules in different conditions.
Used in NMR Spectroscopy:
In the field of nuclear magnetic resonance (NMR) spectroscopy, 2,2,2-Trifluoroethan(ol-d) serves as a valuable solvent or reference compound. The presence of deuterium in the molecule enables researchers to differentiate between signals and improve the resolution of NMR spectra, facilitating the identification and characterization of other compounds in a mixture.
Used in Pharmaceutical Industry:
2,2,2-Trifluoroethan(ol-d) is employed as a building block in the development of new pharmaceuticals. Its unique properties can contribute to the design of drugs with improved pharmacokinetics, selectivity, and reduced side effects. Additionally, it can be used in the synthesis of isotopically labeled compounds for use in drug metabolism studies.
Used in Material Science:
In material science, 2,2,2-Trifluoroethan(ol-d) can be incorporated into the development of novel materials with tailored properties. Its deuterated nature may influence the material's stability, solubility, and other characteristics, making it suitable for applications such as polymers, coatings, and advanced materials.
Used in Environmental Studies:
2,2,2-Trifluoroethan(ol-d) can be used as a tracer in environmental studies to track the behavior of pollutants, contaminants, or other substances in various ecosystems. The deuterium label allows for the differentiation between naturally occurring compounds and those introduced for research purposes, providing a clearer understanding of environmental processes and impacts.

Check Digit Verification of cas no

The CAS Registry Mumber 77568-66-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,5,6 and 8 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 77568-66:
(7*7)+(6*7)+(5*5)+(4*6)+(3*8)+(2*6)+(1*6)=182
182 % 10 = 2
So 77568-66-2 is a valid CAS Registry Number.

77568-66-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-deuteriooxy-1,1,1-trifluoroethane

1.2 Other means of identification

Product number -
Other names Trifluoroethyl alcohol-OD

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:77568-66-2 SDS

77568-66-2Upstream product

77568-66-2Relevant academic research and scientific papers

Vibrational Spectra and Conformations of 2,2,2-Trifluoroethylamine and 2,2,2-Trifluoroethanol

Kalasinsky, V. F.,Anjaria, H. V.

, p. 1940 - 1944 (1980)

The infrared and Raman spectra of 2,2,2-trifluoroethylamine (CF3CH2NH2) and 2,2,2-trifluoroethanol (CF3CH2OH) have been recorded in the fluid and solid phases.For CF3CH2NH2, the C-C stretch and the -NH2 stretch appear as doublets as a result of the equilibrium mixture of trans and gauche conformers.A value for ΔH of 2.9 kcal/mol has been determinated from a variable temperature study for the gas phase, and the -NH2 torsion for the more stable trans conformer has been observed at 264 cm-1.The Δv=2 transitions for the -CF3 torsion have been observed, and the derived barrier to internal rotation is 3.85+/-0.06 kcal/mol.Microwave transitions for two excited vibrational states have also been assigned for trans-2,2,2-trifluoroethylamine.A similar equilibrium between two conformers exists for CF3CH2OH.The -OH and -OD torsions for the more stable gauche conformer have been observed in the far-infrared spectra.The value of the -CF3 barrier has been calculated to be 3.72+/-0.15 kcal/mol.

Catalysis of the Trifluoroethanolysis of Dimethylphenylphenoxysilane

Dietze, Paul E.,Foerster, Chris,Xu, Yiying

, p. 2523 - 2528 (2007/10/02)

The buffer-catalyzed trifluoroethanolysis of dimethylphenylphenoxysilane was studied.The reaction exhibits general base catalysis, general acid catalysis, and bifunctional catalysis.The Bronsted values are the following: general base catalysis, βB = 0.72; general acid catalysis, αA = 0.65; bifunctional catalysis βAB = 0.Solvent isotope effects for the acetic acid-tetramethylammonium acetate-catalyzed trifluoroethanolysis are greater than 1.0 for all three mechanisms of catalysis.It is suggested that general acid catalysis, general base catalysis, and bifunctional catalysis are modifications of a similar mechanism.

SOLVOLYSES OF alpha -KETO NORBORNYL TRIFLUOROACETATES AND TRIFLATES. DISCRETE alpha -KETO CATIONS VS. sigma -ASSISTED (k DELTA ) PROCESSES.

Creary,Geiger

, p. 7123 - 7129 (2007/10/02)

Trifluoroacetate derivatives of exo-2-hydroxy-endo-2-aryl bicyclo left bracket 2. 2. 1 right bracket heptan-3-ones have been prepared and solvolyzed in acetic acid. Small amounts of endo-trifluoroacetate products, via internal return, as well as major unr

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