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Sigma-Aldrich

1,2-Dibromoethane-d4

99 atom % D

Synonym(s):

Ethylene-d4 dibromide

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About This Item

Linear Formula:
BrCD2CD2Br
CAS Number:
22581-63-1
Molecular Weight:
191.89
EC Number:
245-102-8
MDL number:
MFCD00037499
UNSPSC Code:
12142201
PubChem Substance ID:
24866629
NACRES:
NA.21

isotopic purity

99 atom % D

Quality Level

200

Assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

impurities

≤0.5% water
water

refractive index

n20/D 1.536 (lit.)

bp

131-132 °C (lit.)

density

2.226 g/mL at 25 °C

application(s)

agriculture
environmental

mass shift

M+4

SMILES string

[2H]C([2H])(Br)C([2H])([2H])Br

InChI

1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D2,2D2

InChI key

PAAZPARNPHGIKF-LNLMKGTHSA-N

General description

1,2-Dibromoethane-d4 is a deuterated NMR solvent useful in NMR-based research and analyses. It has been reported to be synthesized by reacting acetylene-d2 and deuterium bromide.

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Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Carc. 1B - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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 N1-tritylethane-1,1,2,2-d4-1,2-diamine: a novel mono-protected C-deuterated ethylenediamine synthon.
Yang J, et al.
Journal of Labelled Compounds & Radiopharmaceuticals, 55(13), 463-466 (2012)
Synthesis of organic deuterium compounds: Part VI. Formaldehyde-d2 and formaldehyde-d.
Bannard RAB, et al.
Canadian Journal of Chemistry, 31(4), 351-360 (1953)
Synthesis of organic deuterium compounds: III. 1,2-dibromoethane-d4 and its derivatives.
Leitch LC and Morse AT.
Canadian Journal of Chemistry, 30(12), 924-932 (1952)

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