Deuterated chloroform

Deuterated chloroform
Names
IUPAC name
Trichloro(2H)methane
Other names
Chloroform-d
Deuterochloroform
Identifiers
3D model (JSmol)
1697633
ChEBI
ChemSpider
ECHA InfoCard 100.011.585
EC Number 212-742-4
UN number 1888
Properties
CDCl3
Molar mass 120.384 g mol−1
Density 1.500 g cm−3
Melting point −64 °C (−83 °F; 209 K)
Boiling point 61 °C (142 °F; 334 K)
Hazards
Xn
R-phrases (outdated) R22, R38, R40, R48/20/22
S-phrases (outdated) S36/37
NFPA 704
Flammability code 0: Will not burn. E.g., waterHealth code 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g., chloroformReactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g., liquid nitrogenSpecial hazards (white): no codeNFPA 704 four-colored diamond
0
2
0
Related compounds
Related compounds
 Chloroform

Deuterated dichloromethane

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Deuterated chloroform (CDCl3), also known as chloroform-d, is an isotopologue of chloroform (CHCl3) in which the hydrogen atom ("H") is replaced with a deuterium (heavy hydrogen) isotope ("D"). Deuterated chloroform is the most common solvent used in NMR spectroscopy of organic molecules, because of its ability to dissolve a wide variety of organic molecules. Most compounds soluble in dichloromethane are soluble in chloroform, but chloroform is much cheaper than deuterated DCM.[1]

Properties

The properties of CDCl3 are virtually identical to those of regular chloroform.

NMR spectrum

In proton NMR spectroscopy, the deuterium does not exhibit a large interfering peak, whereas protium (regular hydrogen) shows a large peak in the spectrum. Most commercial chloroform-d, however, contains a small amount of non-deuterated chloroform, often known as the residual; this results in a small singlet at 7.26 ppm. In carbon-13 NMR, the sole carbon deuterated chloroform shows a triplet at a chemical shift of 77 ppm with the three peaks being about equal size, as the deuterium has a spin of 1.[1]

References

  1. 1 2 The Theory of NMR - Solvents for NMR spectroscopy
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