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612200

Sigma-Aldrich

Chloroform-d

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

Synonym(s):
Deuterochloroform
Linear Formula:
CDCl3
CAS Number:
Molecular Weight:
120.38
Beilstein:
1697633
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

99.8 atom % D

Assay

≥99% (CP)

form

liquid

contains

0.05 % (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
434876494275151831
Chloroform-d 99.8 atom % D, contains 0.05 % (v/v) TMS

Sigma-Aldrich

612200

Chloroform-d

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

Sigma-Aldrich

434876

Chloroform-d

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

Sigma-Aldrich

494275

Chloroform-d

Chloroform-d 99.8 atom % D, contains 1 % (v/v) TMS

Sigma-Aldrich

151831

Chloroform-d

assay

≥99% (CP)

assay

≥99.00%

assay

≥99.00%

assay

99% (CP)

form

liquid

form

liquid

form

liquid

form

liquid

contains

0.05 % (v/v) TMS

contains

0.1 % (v/v) TMS

contains

0.03 % (v/v) TMS

contains

1 % (v/v) TMS

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

impurities

≤0.0100% water
water

impurities

≤0.0100% water
water

impurities

≤0.0100% water
water

impurities

≤0.0100% water
water

General description

Chloroform-d (deuterochloroform, CDCl3) is a deuterated NMR solvent containing 0.05% (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.

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

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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)
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)
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)

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