Deuterated chloroform

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Deuterated chloroform
IUPAC name Trichloro(2H)methane
Other names Deuterated chloroform, deuterochloroform, chloroform-d
Identifiers
CAS number [865-49-6]
PubChem 71583
EINECS number 212-742-4
SMILES [2H]C(Cl)(Cl)Cl
InChI 1/CHCl3/c2-1(3)4/h1H/i1D
Properties
Molecular formula CDCl3
Molar mass 120.38 g/mol
Density 1.5 g/cm3
Melting point

-64 °C
Boiling point

60.9 °C
Hazards
Main hazards Harmful (Xn)
NFPA 704
0
2
0
 
R-phrases R22 R38 R40 R48/20/22
S-phrases S36/37
Except where noted otherwise, data are given for
materials in their standard state
(at 25 °C, 100 kPa)
Infobox disclaimer and references

Deuterated chloroform (CDCl3), is a form (called a isotopologues) of chloroform (CHCl3) in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated chloroform is the most common solvent used in NMR spectroscopy.

v • d • e
NMR Solvents
Deuterated
Deuterated acetone - (CD3)2C=O • Deuterated benzene - C6D6 • Deuterated chloroform - CDCl3 • Deuterated DMF - (CD3)2NCOD • Deuterated DMSO - (CD3)2S=O • Deuterated ethanol - C2D5OD • Deuterated methanol - CD3OD • Deuterated THF - (C4D8)O. Reference: 1H and 13C chemical shifts
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