151823 Sigma-Aldrich


99.8 atom % D

Synonym: Deuterochloroform

  • CAS Number 865-49-6

  • Linear Formula CDCl3

  • Molecular Weight 120.38

  •  Beilstein/REAXYS Number 1697633

  •  EC Number 212-742-4

  •  MDL number MFCD00000827

  •  PubChem Substance ID 24849167

  •  NACRES NA.21



Related Categories Alphabetical Listings, C, Chloroform, Chloroform-d, Common NMR Solvents,
Quality Level   200
isotopic purity   99.8 atom % D
assay   ≥99% (CP)
form   liquid
application(s)   NMR: suitable
refractive index   n20/D 1.444 (lit.)
bp   60.9 °C (lit.)
mp   −64 °C (lit.)
density   1.500 g/mL at 25 °C (lit.)
mass shift   M+1
SMILES string   [2H]C(Cl)(Cl)Cl
InChI   1S/CHCl3/c2-1(3)4/h1H/i1D


General description

Chloroform-d (Deuterochloroform, CDCl3), deuterated chloroform, is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Quantitaive infrared spectral investigations of carbon-deuterium stretching bands of chloroform-d in various organic solvents have been reported. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the ν1 and ν2 bands of CHCl3 and CDCl3.


Chloroform-d has been employed as solvent in a 1H NMR (Proton Nuclear Magnetic Resonance) spectroscopic study. It has been employed as solvent during the 31PNMR (Phosphorus-31 nuclear magnetic resonance) spectral investigation of triphenyl phosphate and tris(2-chloroethyl) phosphate. It has also been used as the deuterated solvent in the 1H NMR spectral studies of 2-(4-bromobenzyl)-3-hydroxypropanoic acid and 3-hydroxy-2-(4-methoxybenzyl)propanoic acid. It has also been used as the deuterated solvent for the 1HNMR spectral studies of 3,3′-dihydroxy-4,4′-diamino-biphenyl (HAB) and 2,2′-bis-(3,4-dicarboxy-phenyl) hexafluoropropane dianhydride (6FDA) polyimide.


1 kg in glass bottle

10×0.6, 10×0.75, 10×1 mL in ampule

50, 100, 250 g in glass bottle

Safety & Documentation

Safety Information

Signal word 
Target organs 
Central nervous system
UN 1888 6.1 / PGIII
WGK Germany 
Protocols & Articles


NMR Deuterated Solvent Properties Reference Chart

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Pressure-Temperature Calculator for Solvents

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Solvent Miscibility Table

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