Deuterated chloroform

Deuterated chloroform

Stereo, skeletal formula of deuterated chloroform Spacefill model of deuterated chloroform
Names
IUPAC name Trichloro(2H)methane
Other names Chloroform-d Deuterochloroform
Identifiers
CAS Number	865-49-6 Y
3D model (JSmol)	Interactive image
Beilstein Reference	1697633
ChEBI	CHEBI:85365 N
ChemSpider	64654 Y
ECHA InfoCard	100.011.585
EC Number	212-742-4
PubChem CID	71583
UN number	1888
CompTox Dashboard (EPA)	DTXSID50904766
InChI InChI=1S/CHCl3/c2-1(3)4/h1H/i1D Y Key: HEDRZPFGACZZDS-MICDWDOJSA-N Y InChI=1/CHCl3/c2-1(3)4/h1H/i1D Key: HEDRZPFGACZZDS-MICDWDOJEH
SMILES [2H]C(Cl)(Cl)Cl
Properties
Chemical formula	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
NFPA 704 (fire diamond)	2 0 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). N verify (what is YN ?) 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.

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.