1849-29-2

Basic information

• Product Name: METHANOL-D3
• Synonyms: TETRADEUTEROMETHANOL;CD3OH;METHYL-D3 ALCOHOL;METHAN-D3-OL;METHANOL-D3;METHANOL-D3OH;(2H3)methanol;METHANOL-D3, 99.8 ATOM % D
• CAS NO: 1849-29-2
• Molecular Formula: CH₄O
• Molecular Weight: 35.06
• EINECS: 217-435-9
• Mol File: 1849-29-2.mol
• Article Data: 10

Chemical Properties

• Melting Point: 174-177 °C
• Boiling Point: 65 °C(lit.)
• Flash Point: 52 °F
• Appearance: Colorless/Liquid
• Density: 0.867 g/mL at 25 °C(lit.)
• Vapor Pressure: 265mmHg at 25°C
• Refractive Index: n20/D 1.327(lit.)
• Storage Temp.: Flammables area
• Explosive Limit: 5.5-36.5%(V)
• BRN: 1732010
• CAS DataBase Reference: METHANOL-D3(CAS DataBase Reference)
• NIST Chemistry Reference: METHANOL-D3(1849-29-2)
• EPA Substance Registry System: METHANOL-D3(1849-29-2)

Safety Data

• Hazard Codes: F,T
• Statements: 11-23/25-39/23/24/25-23/24/25
• Safety Statements: 7-16-24-45-36/37
• RIDADR: UN 1230 3/PG 2
• WGK Germany: 3
• F: 10
• Hazardous Substances Data: 1849-29-2(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

Uses

Methanol-d3 may be used in the preparation of [Al(CH3)2OCD3]3 by reacting with trimethylaluminum for use in spectroscopic analysis of dialkylaluminum alkoxides and the trialkylaluminum-ether complex.

General Description

Methanol-d3 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

InChI:InChI=1/CH4O/c1-2/h2H,1H3/i1D3

Upstream product

• 811-98-3 d⁽⁴⁾-methanol 
• 96-49-1 [1,3]-dioxolan-2-one 
• 19424-29-4 4,4,5,5-tetramethyl-1,3-dioxolan-2-one 
• 6552-73-4 sodium methoxide-d3 
• 54526-87-3 methyl-d3 2-methylpropanoate 
• 7732-18-5 water 
• 75-46-7 trifluoromethan 
• 74-86-2 acetylene 
• 108-32-7 1,2-propylene cyclic carbonate 
• 112-36-7 3,6,9-trioxaundecane 
• 1664-98-8 paraformaldehyde-d2 
• 67-56-1 methanol 
• 150620-80-7 Methoxy-d3-methylphenoxyphenylsilane 
• 51679-31-3 methoxide-d3 anion 

Downstream Products

• 220079-44-7 1-(benzyloxycarbonyl)-2-ethyl-1-methyl-2-[(trideuteromethyl)tosylcarbamoyl]hydrazine 
• 35233-69-3 methyl methacrylate-d₈ 
• 4019-61-8 N,N-bis(trideuteromethyl)aniline 
• 33721-48-1 ether dimethylique (D₅) 
• 13725-27-4 methyl trideuteriomethyl ether 
• 1634-04-4 tert-butyl methyl ether 
• 6163-66-2 2,2'-oxybis(2-methyl-propane) 
• 29366-08-3 methyl-d3 1-dideuterio-2-propenyl ether 
• 1617525-37-7 C₁₅H₂₁⁽²⁾H₃O₂ 
• 23346-26-1 1-methyl-4-trideuteriomethoxy-benzene 
• 1664-98-8 paraformaldehyde-d2 
• 811-98-3 d⁽⁴⁾-methanol 

Relevant articles and documents

Oxyfunctionalization with CpIrIII(NHC)(Me)L complexes

A series of monomethyl CpIrIII complexes were synthesized and studied for the formation of methanol in water. Methanol yields of 75(4)% in the presence of O2 were obtained. From isotope labeling studies, it was determined that O2 is the source of the oxygen atom in the product. From kinetic studies, oxyfunctionalization appears to proceed by dissociation of an L-type ligand followed by O2 binding and insertion.

METHOD FOR PRODUCING DEUTERATED METHYL METHACRYLATE

A method for producing MMA-d8 which includes a step of exchanging D in hydroxyl group of methanol-d4 represented by the formula: CD3OD with H to prepare the methanol-d3 represented by the formula CD3OH and simultaneously recovering a deuterium-containing compound, and a step of reacting methanol-d3 with sulfuric acid salt of methacrylic acid amide represented by the formula CD2=(CD3)CO(NH2·H2SO4) to prepare MMA-d8 represented by the formula: CD2=(CD3)COOCD3.

Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform

Ion-molecule complexes of substituted acetylides, RCC- (R = tert-butyl, H, phenyl, p-tolyl), and fluoroform, HCF3, were studied using Fourier transform ion cyclotron resonance mass spectrometry. These complexes, RCC-·HCF3, all have complexation energies of approximately -19 kcal/mol and are, therefore, hydrogen bonded. The acetylides vary in basicity over a 6 kcal/mol range, but all have the same complexation energy with fluoroform. The structure of these complexes was verified by deuterium isotopic exchange reactions and equilibrium fractionation experiments. The relationship between acid-base thermochemistry and hydrogen bond stability is discussed.