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494275

Sigma-Aldrich

Chloroform-d

"100%", 99.96 atom % D, contains 0.03 % (v/v) TMS

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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

Quality Level

isotopic purity

99.96 atom % D

Assay

≥99.00%

form

liquid

contains

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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This Item
434876612200225789
Chloroform-d "100%", 99.96 atom % D, contains 0.03 % (v/v) TMS

494275

Chloroform-d

Chloroform-d 99.8 atom % D, contains 0.1 % (v/v) TMS

434876

Chloroform-d

Chloroform-d 99.8 atom % D, contains 0.05 % (v/v) TMS

612200

Chloroform-d

Chloroform-d 99.8 atom % D, contains 0.03 % (v/v) TMS

225789

Chloroform-d

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

isotopic purity

99.96 atom % D

isotopic purity

99.8 atom % D

isotopic purity

99.8 atom % D

isotopic purity

99.8 atom % D

assay

≥99.00%

assay

≥99.00%

assay

≥99% (CP)

assay

≥99% (CP)

Quality Level

200

Quality Level

-

Quality Level

-

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). 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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accessory

Product No.
Description
Pricing

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

Central nervous system

Storage Class Code

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

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, 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)
Dichlorofluoromethane-d: a versatile solvent for VT-NMR experiments.
Siegel JS and Anet FAL.
The Journal of Organic Chemistry, 53(11), 2629-2630 (1988)
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)

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