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Compared to the conventional Chloroform CHCl3, the organic chemical compound chloroform-d CDCl3 is an isotopologous form in which the hydrogen atoms (in their natural isotopic composition) have been replaced by the isotope deuterium D(see Hydrogen-2).
Deuterochloroform is probably the most widely used deuterated solvent in laboratory and research. It gains this importance primarily due to the cost-effective and easy manufacturing conditions as well as the easy cleaning of the end product (see also below).
Systematic name
Trichloro(deuterio)methane
Other names, synonyms
Deuteriochloroform; Trichloromethane-d; Deuterated chloroform; Deuterotrichloromethane; Deuterochloroform
Molecular formula and structural formula of Chloroform-d:
C2HCl3 oder CDCl3
Mr = 120.3751 g/mol
Trichloro(deuterio)methane
SMILES: [2H]C(Cl)(Cl)Cl
In its pure state, deuterated chloroform exists as a colorless, light-sensitive liquid.
Deuterated chloroform is used in NMR spectroscopy for calibration and as a solvent.
Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.
Mass-related elemental composition and isotope proportions of the compound Chloroform-d - C2HCl3 - calculated based on molecular mass.
.*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.
The molar mass is M = 120.3751017781 grams per mole.
The amount of substance in one kilogram of the substance is n = 8.307 mol.
The amount of substance in one gram of the substance is n = 0.008 mol.
Monoisotopic mass: 118.9206598781 Da - related to 12C2H35Cl3.
The common production process for deuterated chloroform is the reaction of hexachloroacetone with deuterium oxide (D2O as deuterium source) in the presence of pyridine as a catalyst. The large difference in boiling points between the educts and the product allows easy purification by distillation; In addition, carbon dioxide is formed as a byproduct, which escapes from the reaction mixture as a gas.
A newer synthesis approach includes one-pot synthesis with the same starting substances, but with the more easily recyclable poly(N-vinylimidazole) as a catalyst [1].
(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.
Signal word: Danger
GHS hazard statements (H phrases):
Labeling in the EU: See ECHA Substance Infocard 100.011.585.
The table below lists producers and suppliers of Chloroform-d as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.
Last update: 2023-11-30
Perma link: https://www.chemlin.org/chemical-compound/Chloroform-d.php
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