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Sigma-Aldrich

Chloroform-d

"100%", 99.96 atom % D

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Synonym(s):
Deuterochloroform
Linear Formula:
CDCl3
CAS Number:
Molecular Weight:
120.38
Beilstein/REAXYS Number:
1697633
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21

Quality Level

isotopic purity

99.96 atom % D

assay

≥99% (CP)

form

liquid

technique(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 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. 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 in the ν1 and ν2 bands of CHCl3 and CDCl3.

Application


  • Diphenylpyrrole-Strapped Calix[4]pyrrole Extractant for the Fluoride and Chloride Anions.: This study describes the development and application of a diphenylpyrrole-strapped calix[4]pyrrole as an effective extractant for fluoride and chloride anions, using Chloroform-d as a key solvent in its synthesis (Jung Heo N et al., 2023).

  • A simple protocol for determination of enantiopurity of amines using BINOL derivatives as chiral solvating agents via (1)H- and (19)F-NMR spectroscopic analysis.: This research outlines a protocol utilizing Chloroform-d for the NMR spectroscopic analysis of amines′ enantiopurity, highlighting its role in enhancing spectral quality and resolution (Chaudhary P et al., 2022).

  • Thermal oxidation stability of different multi-element oleogels via (1)H NMR spectroscopy.: Investigates the thermal oxidation stability of various oleogels, using Chloroform-d in the spectroscopic analysis to assess stability parameters (Qiu H et al., 2022).

  • Solvation of the Boc-Val-Phe-nPr peptide characterized by VCD spectroscopy and DFT calculations.: Explores solvation effects on a peptide′s structure, employing Chloroform-d as a solvent to determine its impact on peptide behavior in solution (Scholten K et al., 2022).

  • A straightforward catalytic approach to obtain deuterated chloroform at room temperature.: Discusses a novel method for producing Chloroform-d at room temperature, showcasing its practical applications in spectroscopic analysis and chemical synthesis (Higuera-Padilla AR et al., 2020).

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pictograms

Skull and crossbonesHealth hazard

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 Oral - STOT SE 3

target_organs

Central nervous system, Liver,Kidney

wgk_germany

WGK 3

ppe

Eyeshields, Faceshields, Gloves


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J. Chem. Phys. , 73(10), 4971-4975 (1980)
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Quantitative Study of the Bonding of Chloroform-d in Various Solvents by Infrared Spectrometry1.
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