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530735

Sigma-Aldrich

Chloroform-d

≥99.8 atom % D, contains 0.5 wt. % silver foil as stabilizer, 0.03 % (v/v) TMS

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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

isotopic purity

≥99.8 atom % D

Quality Level

assay

≥99% (CP)

form

liquid

contains

0.5 wt. % silver foil as stabilizer
0.03 % (v/v) TMS

technique(s)

NMR: suitable

impurities

≤0.0100% water
water

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
494275434876612200
vibrant-m

530735

Chloroform-d

vibrant-m

494275

Chloroform-d

vibrant-m

434876

Chloroform-d

vibrant-m

612200

Chloroform-d

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

assay

≥99% (CP)

assay

≥99.00%

assay

≥99.00%

assay

≥99% (CP)

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

100

form

liquid

form

liquid

form

liquid

form

liquid

General description

Chloroform-d (deuterochloroform, CDCl3) is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane) and 0.5wt.% silver foil as stabilizer. It is useful in NMR-based research and analyses. It may be synthesized by reacting trichloroacetophenone and sodium deuteroxide. The influence of the number of pulses on its multiphoton decomposition (MPD) has been studied. Infrared spectral studies of C-D stretching and bending motions of CDCl3 in different solvents have been investigated. The effect of chloroform-d on the interaction of water with activated carbons has been analyzed. The dependence of molecular reorientation of deuterated chloroform on pressure and temperature has been studied by Raman spectroscopy.

Application

Chloroform-d may be used in the synthesis of dichlorofluoromethane-d.

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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

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

ppe

Eyeshields, Faceshields, Gloves


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Raman study of molecular reorientation in liquid chloroform and chloroform-d under high pressure.
Schroeder J, et al.
J. Chem. Phys. , 69(12), 5479-5488 (1978)
Influence of organics on the structure of water adsorbed on activated carbons.
Turov VV, et al.
Journal of Colloid and Interface Science, 253(1), 23-34 (2002)
The effect of collisions in the multiphoton decomposition of chloroform-d.
McRae GA, et al.
J. Chem. Phys. , 92(10), 5997-6003 (1990)
Isotope Effect on Dissociation Probabilities in the Mass Spectra of Chloroform and Chloroform-d.
Dibeler VH and Bernstein RB.
J. Chem. Phys. , 19(4), 404-406 (1951)
Dichlorofluoromethane-d: a versatile solvent for VT-NMR experiments.
Siegel JS and Anet FAL.
The Journal of Organic Chemistry, 53(11), 2629-2630 (1988)

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