992-96-1

Basic information

• Product Name: IODOMETHANE-D1
• Synonyms: IODOMETHANE-D;IODOMETHANE-D1;METHYL IODIDE (D1);IODOMETHANE-D, 98 ATOM % D;Methyl-d1 iodide
• CAS NO: 992-96-1
• Molecular Formula: CH₃I
• Molecular Weight: 142.95
• Product Categories: Chiral Compounds;Nitriles
• Mol File: 992-96-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: -66.5 °C(lit.)
• Boiling Point: 42 °C(lit.)
• Flash Point: 7.8°C
• Appearance: /
• Density: 2.296 g/mL at 25 °C
• Vapor Pressure: 437mmHg at 25°C
• Refractive Index: n20/D 1.526(lit.)
• Storage Temp.: 0-6°C
• Merck: 13,5351
• CAS DataBase Reference: IODOMETHANE-D1(CAS DataBase Reference)
• NIST Chemistry Reference: IODOMETHANE-D1(992-96-1)
• EPA Substance Registry System: IODOMETHANE-D1(992-96-1)

Safety Data

• Hazard Codes: T
• Statements: 45-46-23/24/25-42/43-40-37/38-23/25-21
• Safety Statements: 53-23-26-36/37/39-45-38-36/37
• RIDADR: UN 2644 6.1/PG 1
• WGK Germany: 3
• Hazardous Substances Data: 992-96-1(Hazardous Substances Data)

Usage

Description

IODOMETHANE-D1, also known as deuterated methyl iodide, is a chemical compound that contains deuterium, an isotope of hydrogen. It is synthesized by reacting copper wire with methyl iodide and has unique properties due to the presence of deuterium.

Uses

Used in Pharmaceutical Industry:
IODOMETHANE-D1 is used as a reagent for the preparation of pharmaceutical compounds. Its deuterated nature provides unique properties that can improve the stability, solubility, and pharmacokinetics of the resulting compounds, making it a valuable tool in drug development.
Used in Organic Chemistry:
In the field of organic chemistry, IODOMETHANE-D1 is used in the preparation of Oxazepane derivatives. These derivatives act as Monoamine reuptake inhibitors, which are important in the treatment of various neurological and psychiatric disorders. The use of IODOMETHANE-D1 in this process allows for the synthesis of these compounds with improved selectivity and yield.

InChI:InChI=1/CH3I/c1-2/h1H3/i1D

Upstream product

• 75-11-6 diiodomethane 
• 865-50-9 iodomethane-d3 
• 74-88-4 methyl iodide 
• 4206-31-9 deuteriomethanol 

Downstream Products

• 122700-62-3 C₉H₁₂⁽²⁾HN 
• 84632-32-6 NN-di(<(2)H>methyl)-benzamide 
• 84632-33-7 NN-di(<(2)H>methyl)-2-methoxybenzamide 

Relevant articles and documents

Isothermal pyrolysis of iodomethanes in gases

The fact was established that the pyrolysis of gaseous iodomethanes RI yields methane and non traces of recombination products R2. A pyrolysis mechanism was proposed and rate constants of limiting stages of the pyrolysis of iodomethane, trideuteroiodomethane, and diiodomethane over the range of 500-1500 K were determined. Pleiades Publishing, Ltd., 2009.

Raman spectra of selectively deuterated tetramethylammonium ions - I. Methyl deformation vibrations

The methyl deformation vibrations that have been observed in the Raman spectra of six partially deuterated tetramethylammonium ions are analysed.Strikingly different depolarization ratios were found for the symmetric methyl bending vibration δs of a single CH3 group in the Me4N+-D9 ion and the single CD3 group of the Me4N+-d3 species.This observation enables us to explain with some group theoretical considerations a rather puzzling fact, namely that the in-phase symetric CH3 bending vibration ν2 (A1) cannot be detected in the Raman spectrum of (CH3)4N+, whereas it appears as a rather intense polarized band in the spectrum of the perdeuterated species (CD3)4N+.The extent, to which the bending vibrations of neighbouring methyl groups are coupled within the Me4N+ ion, is discussed briefly.