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Merck
CN

530735

Chloroform-d

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

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:
24877772
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, contains 0.5 wt. % silver foil as stabilizer, 0.03 % (v/v) TMS

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

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

Quality Level

100

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Application

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

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.

Other Notes

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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

Regulatory Information

危险化学品
美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9131
MKCW2802
MKCX0518
MKCW5417
MKCV6611

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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)
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)
Infrared Intensity of the C-D Stretch of Chloroform-d in Various Solvents.
Huggins CM and Pimentel GC.
J. Chem. Phys. , 23(5), 896-898 (1955)
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