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Merck
CN

358703

1,1,2,2-Tetrachloroethane-d2

≥99.5 atom % D

Synonym(s):

1,2-Dideutero-1,1,2,2-tetrachloroethane

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About This Item

Linear Formula:
Cl2CDCDCl2
CAS Number:
33685-54-0
Molecular Weight:
169.86
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24861984
EC Number:
251-634-1
Beilstein/REAXYS Number:
1699903
MDL number:
MFCD00037672
Isotopic purity:
≥99.5 atom % D
Assay:
≥99% (CP)
Mass shift:
M+2

Key Documents

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Product Name

1,1,2,2-Tetrachloroethane-d2, ≥99.5 atom % D

InChI key

QPFMBZIOSGYJDE-QDNHWIQGSA-N

InChI

1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D

SMILES string

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

isotopic purity

≥99.5 atom % D

assay

≥99% (CP)

technique(s)

NMR: suitable

refractive index

n20/D 1.493 (lit.)

bp

145-146 °C/737 mmHg (lit.)

density

1.62 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

mass shift

M+2

Quality Level

100

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Application

1,1,2,2-Tetrachloroethane-d2 is used as a solvent:
  • In the synthesis of cyclic olefin copolymer foam (COC), which is a super thermal insulation material in energy-management applications.
  • In the NMR measurement to determine various intermediate compounds.

General description

1,1,2,2-Tetrachloroethane-d2 is 1,1,2,2-Tetrachloroethane in which all hydrogen atoms are replaced by deuterium. It is commonly employed as an NMR solvent.

Other Notes

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pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Aquatic Chronic 2

Storage Class

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

美国出口管控产品
危险化学品
非剧毒-急性毒性1
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ5781
MKCX6895
MKCW1594
MKCZ3193
MKCZ3192

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Randi Zhang et al.
Dalton transactions (Cambridge, England : 2003), 48(47), 17488-17498 (2019-11-21)
Five structurally related bis(arylimino)pyridine-iron(ii) chloride complexes, [2-[CMeN{2,6-{(4-FC6H4)2CH}2-4-NO2}]-6-(CMeNAr)C5H3N]FeCl2 (Ar = 2,6-Me2C6H3Fe1, 2,6-Et2C6H3Fe2, 2,6-i-Pr2C6H3Fe3, 2,4,6-Me3C6H2Fe4, and 2,6-Et2-4-MeC6H2Fe5), incorporating one N-2,6-bis{di(4-fluorophenyl)methyl}-4-nitrophenyl group and one distinct N-aryl group, have been prepared in good yield through the interaction of the corresponding free ligands (L1-L5) with
A E London et al.
Science advances, 5(5), eaav2336-eaav2336 (2019-05-30)
Interest in high-spin organic materials is driven by opportunities to enable far-reaching fundamental science and develop technologies that integrate light element spin, magnetic, and quantum functionalities. Although extensively studied, the intrinsic instability of these materials complicates synthesis and precludes an
Haobing Wang et al.
Journal of the American Chemical Society, 141(32), 12624-12633 (2019-07-26)
The precise control of regio- and stereochemistry in the cyclopolymerization of heteroatom-functionalized α,ω-dienes is of much interest and importance, but has remained a challenge to date. We report herein the regio-, diastereoselective and stereoregular cyclopolymerization of ether- and thioether-functionalized 1,6-heptadienes
Liwei Guo et al.
Dalton transactions (Cambridge, England : 2003), 48(17), 5604-5613 (2019-04-09)
A novel family of 2,6-bis[1-(p-dibenzocycloheptylarylimino)ethyl]pyridylcobalt dichlorides Co1-Co4 were synthesized and fully characterized by FT-IR, 1H NMR, and elemental analysis as well as X-ray diffraction analysis. The 1H NMR spectra of these paramagnetic cobalt complexes Co1-Co3 showed similar spectra with one
Emilie Steiner et al.
Magnetic resonance in chemistry : MRC, 53(8), 596-602 (2015-06-23)
Host-guest complexes between cryptophane-A analogue with butoxy groups (cryptophane-But) and chloromethanes (chloroform, dichloromethane) were investigated in the solid state by means of magic-angle spinning (13)C NMR spectroscopy. The separated local fields method with (13)C-(1)H dipolar recoupling was used to determine

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