Deuterated chloroform
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Names | |||
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IUPAC name
Trichloro(2H)methane | |||
Other names
Chloroform-d Deuterochloroform | |||
Identifiers | |||
3D model (JSmol) |
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1697633 | |||
ChEBI | |||
ChemSpider | |||
ECHA InfoCard | 100.011.585 | ||
EC Number | 212-742-4 | ||
PubChem CID |
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UN number | 1888 | ||
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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 | |||
EU classification (DSD) (outdated) |
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R-phrases (outdated) | R22, R38, R40, R48/20/22 | ||
S-phrases (outdated) | S36/37 | ||
NFPA 704 | |||
Related compounds | |||
Related compounds |
Chloroform | ||
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]