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FLUOROMETHANE-D3, also known as deuterated methyl fluoride, is a stable isotope of fluoromethane that contains three deuterium atoms. This makes it heavier than regular fluoromethane and provides unique properties for specific applications. It is a colorless, odorless gas with a slightly sweet scent, primarily used in the laboratory for research purposes.

558-21-4

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558-21-4 Usage

Uses

Used in Chemical Research:
FLUOROMETHANE-D3 is used as a tracer in gas-phase reactions for studying chemical kinetics and mechanisms. Its deuterated nature allows for easier detection and tracking of reaction pathways, providing valuable insights into chemical processes.
Used in Nuclear Magnetic Resonance (NMR) Studies:
In NMR spectroscopy, FLUOROMETHANE-D3 serves as a valuable tool for analyzing molecular structures and dynamics. The presence of deuterium atoms enhances the sensitivity and resolution of NMR signals, facilitating the study of complex molecular systems.
Used in Laboratory Applications:
FLUOROMETHANE-D3 is utilized in various laboratory applications, including the synthesis of deuterated compounds and as a reference material for calibration of analytical instruments. Its stable isotope composition makes it an ideal candidate for these purposes.
It is important to handle FLUOROMETHANE-D3 with caution due to its highly flammable nature and potential hazards. Proper safety measures should be taken to ensure the safe use of this chemical in research settings.

Check Digit Verification of cas no

The CAS Registry Mumber 558-21-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,5 and 8 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 558-21:
(5*5)+(4*5)+(3*8)+(2*2)+(1*1)=74
74 % 10 = 4
So 558-21-4 is a valid CAS Registry Number.
InChI:InChI=1/CH3F/c1-2/h1H3/i1D3

558-21-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name trideuterio(fluoro)methane

1.2 Other means of identification

Product number -
Other names methyl fluoride-d3

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:558-21-4 SDS

558-21-4Downstream Products

558-21-4Relevant academic research and scientific papers

Ester Cleavage in Superacid Media Involving Diprotonated Gitonic Carboxonium Dications

Olah, George A.,Hartz, Nikolai,Rasul, Golam,Burrichter, Arwed,Prakash, G. K. Surya

, p. 6421 - 6427 (2011/05/18)

The reactivity of protonated and methylated methyl ester in superacidic media was investigated by experiment and theory.Protonated methyl acetate was found to undergo slow acyl oxygen cleavage at -78 deg C in FSO3H/SbF5/SO2 solution to give acetyl cation and methyloxonium ion. 1,1-Dimethoxyethyl cation (methylated methyl acetate) was found to undergo slow methyl exchange in CD3SO3F/SbF5 solution.The reaction of 1,1-dimethoxyethyl cation with toluene in the presence of trifluoromethanesulfonic acid at -78 deg C gave acylation in 4percent yield.Theoretical calculations at the MP4(SDTQ)/6-31G*//MP2/6-31G* level of theory were performed to find stationary points on the potential energy surface of the mono- and diactivated ester system.Based on the available evidence a new mechanism for the acid-catalyzed ester cleavage in superacidic media is proposed.

A Photoelectron Spectroscopic Study of the Ground States of CH2F+ and CD2F+

Andrews, Lester,Dyke, John M.,Jonathan, Neville,Keddar, Noureddine,Morris, Alan,Ridha, Abed

, p. 2364 - 2368 (2007/10/02)

The fluorine atom/methyl fluoride reaction has been studied by photoelectron spectroscopy.A new product band with vibrational components at 9.04 +/- 0.01 eV adiabatic and 9.22 +/- 0.01 eV vertical ionization energies is assigned to the CH2F free radical.The ν'= 0-1 vibronic separation measured as 1450 +/- 30 cm-1 is due to the C-F stretching fundamental of the ground state of CH2F+; this vibronic interval was 1530 +/- 30 cm-1 for CD2F+.The positive deuterium shift for CH2F+ is due to interaction with the H-C-H bending mode, which shifts below the C-F stretching mode on deuteration.The substantial increase in the C-F stretching modes for CH2F+ and CD2F+, as compared to 1163- and 1193-cm-1 values for the CH2F and CD2F free radicals in solid argon, respectively, is due to increased net C-F bonding in the cations.

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