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151831

Chloroform-d

99.8 atom % D, contains 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:
24849168
EC Number:
212-742-4
Beilstein/REAXYS Number:
1697633
MDL number:
MFCD00000827
Isotopic purity:
99.8 atom % D
Assay:
99% (CP)
Mass shift:
M+1
Form:
liquid
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isotopic purity

99.8 atom % D

Quality Level

200

assay

99% (CP)

form

liquid

contains

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

SMILES string

[2H]C(Cl)(Cl)Cl

InChI

1S/CHCl3/c2-1(3)4/h1H/i1D

InChI key

HEDRZPFGACZZDS-MICDWDOJSA-N

General description

Chloroform-d (Deuterochloroform, CDCl3) is a deuterated derivative of chloroform. It contains 1%(v/v) TMS (Tetramethylsilane, added as a stabilizer). Quantitative infrared spectral investigations of carbon-deuterium stretching bands of chloroform-d in various organic solvents have been reported. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the in the ν1 and ν2 bands of CHCl3 and CDCl3.

Application

Chloroform-d has been used as the deuterated solvent for the NMR spectral studies of the corresponding chiral derivatives of β-aminopropanoic acid containing the α-phenylethyl group, which serve as useful starting materials for the asymmetric synthesis of β-amino acids.

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

Liver,Kidney, Respiratory system

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.

Class I Designated Chemical Substances

prtr

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

151831-50G:4.548173106502E12 + 151831-250G:4.548173106496E12 + 151831-100G:4.548173106465E12 + 151831-150G:4.548173106489E12

jan

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Certificates of Analysis (COA)

Lot/Batch Number
MKAA0222
MKAA2664
46797LJ
CX1283
06306HJ

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Preparation of chiral derivatives of ?-Ala containing the a-phenylethyl group: useful starting materials for the asymmetric synthesis of ?-amino acids
Guzman-Mejia R, et al.
Nature Protocols, 2(11), 2759-2766 (2007)
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)
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