1-Methylimidazole-d6

Basic Information

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CAS Number

285978-27-0

Molecular Formula

C4D6N2

Molecular Weight

88.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CN1C=CN=C1

InChI

InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/i1D3,2D,3D,4D

InChIKey

MCTWTZJPVLRJOU-RLTMCGQMSA-N

LogP

0.4200999999999999

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

44.8

Synonyms & References

English

1-Methylimidazole-d6
2,4,5-trideuterio-1-(trideuteriomethyl)imidazole
1-Methylimidazole-d
D99404
285978-27-0
CS-0564122
DTXSID80462884
1-Methylimidazole-d6, 98 atom % D
HY-59137S
1-(Methyl-d3)-1H-imidazole-2,4,5-d3

MDL Number

MFCD00190485

FAQ

What are the physical and chemical properties of 1-Methylimidazole-d6 (CAS: 285978-27-0)?

1-Methylimidazole-d6 is a colorless liquid with a molecular weight of approximately 97.13 g/mol. It has a pKa of around 5.7 and is slightly soluble in water. Chemically, it is reactive towards nucleophiles and can form imine derivatives under appropriate conditions. It is commonly used as a ligand in coordination chemistry.

How is 1-Methylimidazole-d6 (CAS: 285978-27-0) typically synthesized?

1-Methylimidazole-d6 can be synthesized by reacting 1-methylimidazole with deuterium gas (D2) over a suitable catalyst. The reaction is typically carried out at room temperature and involves the substitution of hydrogen atoms with deuterium atoms, leading to a high yield of the product.

What industries use 1-Methylimidazole-d6 (CAS: 285978-27-0)?

1-Methylimidazole-d6 is primarily used in the pharmaceutical industry as a ligand in metal complexes for catalytic reactions. It also finds applications in the polymer industry for controlled polymerization processes and in the sensor industry for selective detection of certain chemical species.

What precautions should be taken when handling 1-Methylimidazole-d6 (CAS: 285978-27-0)?

When handling 1-Methylimidazole-d6, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Work should be conducted in a fume hood to minimize exposure. In case of a spill, immediately clean it up using absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines.