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Merck
CN

236896

Sigma-Aldrich

Chloroform-d

99.8 atom % D

Synonym(s):

Deuterochloroform

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About This Item

Linear Formula:
CDCl3
CAS Number:
865-49-6
Molecular Weight:
120.38
Beilstein:
1697633
EC Number:
212-742-4
MDL number:
MFCD00000827
UNSPSC Code:
12142201
PubChem Substance ID:
24854197

Key Documents

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isotopic purity

99.8 atom % D

Quality Level

100

Assay

≥99.00%

form

liquid

packaging

pk of 10 × 1 mL

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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Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

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, Liver,Kidney

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)

does not flash

Flash Point(C)

does not flash

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBK2502V
MKBK0875V
MKBG2049V
MKBF9412
MKBF2937

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Quantitative Study of the Bonding of Chloroform-d in Various Solvents by Infrared Spectrometry1.
Lord RC, et al.
Journal of the American Chemical Society, 77(5), 1365-1368 (1955)
Isotopic dilution studies of the chloroform-chloroform-d system by Raman difference spectroscopy.
Laane J and Kiefer W.
J. Chem. Phys. , 73(10), 4971-4975 (1980)
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)
Mohammad Alauddin et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 21(46), 16479-16493 (2015-09-26)
This work describes the use of conformer-selective laser spectroscopy following supersonic expansion to probe the local folding proclivities of four-membered ring cyclic β-amino acid building blocks. Emphasis is placed on stereochemical effects as well as on the structural changes induced
Sanna L Diemer et al.
International journal of molecular sciences, 16(9), 21858-21872 (2015-09-18)
Dynamic combinatorial chemistry has emerged as a promising tool for the discovery of complex receptors in supramolecular chemistry. At the heart of dynamic combinatorial chemistry are the reversible reactions that enable the exchange of building blocks between library members in
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