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Sigma-Aldrich

1,2-Dichloroethane-d4

99 atom % D

Synonym(s):

Ethylene-d4 dichloride

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About This Item

Linear Formula:
ClCD2CD2Cl
CAS Number:
17060-07-0
Molecular Weight:
102.98
MDL number:
MFCD00037531
UNSPSC Code:
12142201
PubChem Substance ID:
24864675
NACRES:
NA.21

isotopic purity

99 atom % D

Quality Level

200

Assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.443 (lit.)

bp

83 °C (lit.)

mp

−35 °C (lit.)

density

1.307 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

mass shift

M+4

SMILES string

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

InChI

1S/C2H4Cl2/c3-1-2-4/h1-2H2/i1D2,2D2

InChI key

WSLDOOZREJYCGB-LNLMKGTHSA-N

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General description

1,2-Dichloroethane-d4 is 1,2-dichloroethane with all the hydrogen atoms replaced by deuterium. Its synthesis and structure elucidation by neutron diffraction measurements has been reported.

Application

1,2-Dichloroethane-d4 may be used:
  • As a NMR solvent.
  • As a surrogate standard during the analysis of volatile organic compounds (VOC) in water by gas chromatography-mass spectrometry (GC-MS).
  • As a chain termination reagent in the synthesis of poly(ethylene-d4 oxide).

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Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Asp. Tox. 1 - Carc. 1B - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

60.8 °F - closed cup - Based on data from similar materials

Flash Point(C)

16.0 °C - closed cup - Based on data from similar materials

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of poly (ethylene-d4oxide) with unimodal and narrow molecular weight distribution.
Eisenbach CD, et al.
Macromolecular Chemistry and Physics, 184(11), 2313-2323 (1983)
The structure of liquid 1, 2 dichloroethane by neutron diffraction. I. Molecular structure, full pair correlation function, and temperature effects.
Bermejo FJ, et al.
J. Chem. Phys., 87(12), 7171-7178 (1987)
Solvent Effect on Chiral Aggregate Formation of Acylamino Acids.
Iwahashi M, et al.
Journal of Oleo Science, 51(11), 705-713 (2002)
Volatile organic compounds in water near petrochemical factories in Taiwan.
Kuo HW, et al.
Chemosphere, 33(5), 913-920 (1996)
An automated GC/MS system for the analysis of volatile and semi-volatile organic compounds in water.
Vickers AK and Wright LM.
Journal of Analytical Methods in Chemistry, 15(4), 133-139 (1993)
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