151823

Sigma-Aldrich

Chloroform-d

99.8 atom % D

Synonym(s):
Deuterochloroform
Linear Formula:
CDCl3
CAS Number:
Molecular Weight:
120.38
Beilstein/REAXYS Number:
1697633
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

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

InChI key

HEDRZPFGACZZDS-MICDWDOJSA-N

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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.

Application

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.

Packaging

10×0.6, 10×0.75, 10×1 mL in ampule
50, 100, 250 g in glass bottle
1 kg in glass bottle

Pictograms

Skull and crossbonesHealth hazard

Signal Word

Danger

Target Organs

Central nervous system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 1888 6.1 / PGIII

WGK Germany

WGK 3

Certificate of Analysis

Certificate of Origin

Gas sorption and characterization of thermally rearranged polyimides based on 3, 3'-dihydroxy-4, 4'-diamino-biphenyl (HAB) and 2, 2'-bis-(3, 4-dicarboxyphenyl) hexafluoropropane dianhydride (6FDA)
Smith.PZ, et al.
Journal of Membrane Science, 415, 558-567 (2012)
Selective synthesis of 3-hydroxy acids from Meldrum's acids using SmI2-H2O
Szostak M, et al.
Nature Protocols, 7(5), 970-977 (2012)
Xuejun Liu et al.
Nature protocols, 2(5), 1288-1296 (2007-06-05)
A nearly quantitative 18-component synthesis of a nanocontainer, which is built up from six bowl-shaped cavitands that are connected together with 12 -CH=N-CH2CH2-N=CH- linkers, and its subsequent reduction are described. This nanocontainer has an estimated cavity volume of 1,700 A3...
Michal Szostak et al.
Nature protocols, 7(5), 970-977 (2012-04-28)
The single-step synthesis of 3-hydroxy carboxylic acids from readily available Meldrum's acids involves a selective monoreduction using a SmI(2)-H(2)O complex to give products in high crude purity, and it represents a considerable advancement over other methods for the synthesis of...
Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as 31P qNMR standards.
Weber M, et al.
Analytical and Bioanalytical Chemistry, 407(11), 3115-3123 (2015)
Articles
Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.
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NMR spectroscopy is an analytic technique to determine molecular structure, chemical composition and purity. NMR detects the energy absorbed due to nuclear spin states in the presence of a strong magnetic field.
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