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Merck

434876

Chloroform-d

99.8 atom % D, contains 0.1 % (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:
24867214
EC Number:
212-742-4
Beilstein/REAXYS Number:
1697633
MDL number:
MFCD00000827
Isotopic purity:
99.8 atom % D
Assay:
≥99.00%
Mass shift:
M+1
Form:
liquid

Key Documents

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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

≥99.00%

form

liquid

contains

0.1 % (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

200

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General description

Chloroform-d (deuterochloroform, CDCl3) is a deuterated NMR solvent containing 0.1 % (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.

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

ppe

Eyeshields, Faceshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

865-49-6

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP9333
MKCN5693
MKCM4030
MKCL5549
MKCJ9423

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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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