4-Iodo-1-methyl-1H-imidazole

Basic Information

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CAS Number

71759-87-0

Molecular Formula

C4H5IN2

Molecular Weight

208 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

51-54°C

Boiling Point

299°C at 760 mmHg

Flash Point

134.6℃

SMILES

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CN1C=C(N=C1)I

InChI

InChI=1S/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3

InChIKey

HUQSHNLGOKQVHA-UHFFFAOYSA-N

LogP

1.0247

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

66.7

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

71759-87-0
EN300-204963
PB23238
HUQSHNLGOKQVHA-UHFFFAOYSA-
AC-4601
PS-3336
SCHEMBL84075
CS-W003987
DTXSID80378476
4-iodo-1-methyl-1-H-imidazole
AKOS015906527
4-Iodo-I-methyl-1H-imidazole
AM804272
1H-Imidazole, 4-iodo-1-methyl-
4-Iodo-1-methyl-1H-imidazole
MFCD01632214
J-515543
4-iodo-1-methylimidazole
InChI=1/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
A837316
4-iodo-1-methyl-imidazole
FT-0641364
HUQSHNLGOKQVHA-UHFFFAOYSA-N
SY008696
4-iodo-1-methyl-1H-Imidazole
4-Iodo-1-methylimidazole
1-Methyl-4-iodoimidazole
PubChem8046
1-Methyl-4-iodo-1H-imidazole
STL556014
BBL102215

MDL Number

MFCD01632214

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 4-Iodo-1-methyl-1H-imidazole (CAS: 71759-87-0)?

4-Iodo-1-methyl-1H-imidazole is a crystalline solid with a molecular weight of approximately 222.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and ethanol. This compound is moderately reactive, particularly towards nucleophiles and reducing agents. It is stable under normal conditions but should be handled with care to prevent decomposition upon prolonged exposure to strong oxidants or reductants.

How is 4-Iodo-1-methyl-1H-imidazole (CAS: 71759-87-0) typically synthesized?

4-Iodo-1-methyl-1H-imidazole can be synthesized via the iodination of 1-methyl-1H-imidazole using iodine and a suitable base like sodium hydroxide. The reaction is typically performed in an aqueous medium with a yield of around 85%. The use of a phase-transfer catalyst can improve the reaction efficiency and selectivity.

What industries use 4-Iodo-1-methyl-1H-imidazole (CAS: 71759-87-0)?

4-Iodo-1-methyl-1H-imidazole is used in various industries, particularly in pharmaceuticals, where it serves as an intermediate in the synthesis of other compounds. It also finds applications in the production of sensors and semiconductors, although to a lesser extent.

What precautions should be taken when handling 4-Iodo-1-methyl-1H-imidazole (CAS: 71759-87-0)?

When handling 4-Iodo-1-methyl-1H-imidazole, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and oxidizing agents. In case of spills, immediately clean up using absorbent materials and follow proper disposal procedures. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.