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Sigma-Aldrich

Chloroform-d

≥99.8 atom % D, contains 0.5 wt. % silver foil as stabilizer

Synonym(s):

Deuterochloroform

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About This Item

Linear Formula:
CDCl3
CAS Number:
865-49-6
Molecular Weight:
120.38
Beilstein/REAXYS Number:
1697633
EC Number:
212-742-4
MDL number:
MFCD00000827
UNSPSC Code:
12142201
PubChem Substance ID:
24865925
NACRES:
NA.21

isotopic purity

≥99.8 atom % D

Quality Level

100

assay

≥99.00%

form

liquid

contains

0.5 wt. % silver foil as stabilizer

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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General description

Chloroform-d (deuterochloroform, CDCl3) is a deuterated NMR solvent 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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Danger

Hazard Classifications

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

target_organs

Central nervous system

Storage Class

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

wgk_germany

WGK 3

ppe

Eyeshields, Faceshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
The effect of collisions in the multiphoton decomposition of chloroform-d.
McRae GA, et al.
J. Chem. Phys. , 92(10), 5997-6003 (1990)
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)
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)
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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