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151831

Chloroform-d

Name: Chloroform-d
Brand: ALDRICH

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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Properties

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

Description

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

GHS06,GHS08

signalword

Danger

hcodes

H302,H315,H319,H331,H336,H351,H361d,H372

pcodes

P202 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313

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 Information

危险化学品

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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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Global Trade Item Number

SKU	GTIN
151831-100G	04061838739650
151831-250G	04061838739674
151831-10X100G-N	04061833636343
151831-10X50G-N	04061833636350
151831-150G	04061838739667
151831-50G	04061838739681