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Merck

151823

Chloroform-d

99.8 atom % D

Synonym(s):

Deuterochloroform

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About This Item

Linear Formula:
CDCl3
CAS Number:
865-49-6
Molecular Weight:
120.38
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24849167
EC Number:
212-742-4
Beilstein/REAXYS Number:
1697633
MDL number:
MFCD00000827

Key Documents

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Product Name

Chloroform-d, 99.8 atom % D

InChI key

HEDRZPFGACZZDS-MICDWDOJSA-N

InChI

1S/CHCl3/c2-1(3)4/h1H/i1D

SMILES string

[2H]C(Cl)(Cl)Cl

isotopic purity

99.8 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

Quality Level

200

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Other Notes

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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.

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.

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

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

Storage Class

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

wgk

WGK 3

flash_point_f

does not flash

flash_point_c

does not flash

ppe

Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000525227
0000515052
0000524098
0000515052
0000524098

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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)
Smith.PZ, et al.
Journal of Membrane Science, 415, 558-567 (2012)
Hyunwoo Joo et al.
Science advances, 7(1) (2021-02-02)
Personalized biomedical devices have enormous potential to solve clinical challenges in urgent medical situations. Despite this potential, a device for in situ treatment of fatal seizures using pharmaceutical methods has not been developed yet. Here, we present a novel treatment
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)
Selective synthesis of 3-hydroxy acids from Meldrum's acids using SmI2-H2O
Szostak M, et al.
Nature Protocols, 7(5), 970-977 (2012)
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
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