Iodo(1,1-~2~H_2_)ethane

Basic Information

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CAS Number

3652-82-2

Molecular Formula

C2H3D2I

Molecular Weight

157.98 g/mol

Chemical Classification

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

-108 °C

Boiling Point

69-73 °C

Flash Point

72℃

Refractive Index

n20/D 1.509(lit.)

SMILES

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CCI

InChI

InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i2D2

InChIKey

HVTICUPFWKNHNG-CBTSVUPCSA-N

LogP

1.4413

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

2.8

Synonyms & References

English

Iodoethane-1,1-d2 (stabilized with copper)
Iodoethane-1,1-d2
3652-82-2
Iodoethane-1,1-d2, >=98 atom % D, >=99% (CP), contains copper as stabilizer
AKOS015913079
SCHEMBL509360
1,1-dideuterio-1-iodoethane
D99166
1-iodo(1,1-?H?)ethane
Ethyl-1,1-d2 iodide
DTXSID40480509
Ethane-1,1-d2, 1-iodo-(6CI,7CI,8CI,9CI)
1,1-dideuterio-1-iodo-ethane
1,1-Dideuterio-1-jod-aethan
1-Iodoethane-1,1-d2
486736_ALDRICH
AG-F-27293
CTK8G0331
Ethyl iodide-1,1-d2
I14-46500

MDL Number

MFCD00144495

FAQ

What is Iodo(1,1-~2~H_2_)ethane (CAS: 3652-82-2)?

Iodo(1,1-~2~H_2_)ethane, also known as iodomethane deuterated water, is a chemical compound with the CAS number 3652-82-2. It consists of iodine and deuterated water in an 1:1 ratio. This compound is colorless and has a slight odor similar to iodine. It is used primarily in the pharmaceutical industry for deuterium labeling in NMR spectroscopy and in some organic synthesis reactions.

What are the main uses of Iodo(1,1-~2~H_2_)ethane (CAS: 3652-82-2)?

Iodo(1,1-~2~H_2_)ethane is mainly used in the pharmaceutical industry for deuterium labeling in NMR spectroscopy, which helps in the structural analysis of molecules. It is also used in some organic synthesis reactions and as a reagent in chemical research. Additionally, it can be used in the food industry as a labeling reagent for deuterium enrichment.

Is Iodo(1,1-~2~H_2_)ethane (CAS: 3652-82-2) safe?

Iodo(1,1-~2~H_2_)ethane is generally considered safe when handled with appropriate precautions. However, it should be used with caution as it is toxic and flammable. Protective measures include wearing personal protective equipment such as gloves and goggles. It is also important to avoid skin contact and inhalation. Storage should be in a cool, dry place away from heat sources and other flammable materials.

How should Iodo(1,1-~2~H_2_)ethane (CAS: 3652-82-2) be stored?

Iodo(1,1-~2~H_2_)ethane should be stored in a cool, dry place away from heat sources and other flammable materials. It should be kept in a tightly sealed container to prevent exposure to air. The storage location should be well-ventilated to avoid the accumulation of flammable vapors. It is recommended to keep it away from direct sunlight and to maintain a temperature below 30°C to ensure stability and safety.