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151823

Sigma-Aldrich

Chloroform-d

99.8 atom % D

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

isotopic purity

99.8 atom % D

Quality Level

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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1 of 4

This Item
494275151858612200
vibrant-m

151823

Chloroform-d

vibrant-m

494275

Chloroform-d

vibrant-m

151858

Chloroform-d

vibrant-m

612200

Chloroform-d

assay

≥99% (CP)

assay

≥99.00%

assay

≥99% (CP)

assay

≥99% (CP)

Quality Level

200

Quality Level

200

Quality Level

100

Quality Level

100

mass shift

M+1

mass shift

M+1

mass shift

M+1

mass shift

M+1

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

refractive index

n20/D 1.444 (lit.)

refractive index

n20/D 1.444 (lit.)

refractive index

n20/D 1.444 (lit.)

refractive index

n20/D 1.444 (lit.)

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.

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Pictograms

Skull and crossbonesHealth hazard

Signal Word

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

Respiratory system

Storage Class Code

6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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)
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