4-Iodo-5-methyl-1,2-oxazole

Basic Information

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CAS Number

7064-38-2

Molecular Formula

C4H4INO

Molecular Weight

208.99 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

27-28 ºC

Boiling Point

228 ℃ at 760 mmHg

SMILES

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CC1=C(C=NO1)I

InChI

InChI=1S/C4H4INO/c1-3-4(5)2-6-7-3/h2H,1H3

InChIKey

NFLDXKDDDKVRSN-UHFFFAOYSA-N

LogP

1.58762

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

68.7

Safety Information

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Hazard Statement

Synonyms & References

English

AKOS016001380
FT-0654993
Isoxazole,4-iodo-5-methyl-
4-Iodo-5-methylisoxazole
A9309
MFCD06411541
4-iodo-5-methyl-1,2-oxazole
4-iodo-5-methyl-isoxazole, AldrichCPR
SY038698
J-515566
Isoxazole, 4-iodo-5-methyl-
NFLDXKDDDKVRSN-UHFFFAOYSA-N
CS-0085327
7064-38-2
AMY24812
4-Iodo-5-methyl-isoxazole
PS-3723
DTXSID00383683
EN300-101745
Z1269175158
SCHEMBL316120
4-Iodo-5-methylisoxazol
4-Jod-5-methyl-isoxazol
5-methyl-4-iodoisoxazole
Isoxazole,4-iodo-5-methyl

MDL Number

MFCD06411541

FAQ

What are the physical and chemical properties of 4-Iodo-5-methyl-1,2-oxazole (CAS: 7064-38-2)?

4-Iodo-5-methyl-1,2-oxazole (CAS: 7064-38-2) is a white crystalline solid. It has a molecular weight of approximately 212.03 g/mol. This compound is slightly soluble in water but is more soluble in organic solvents like ethanol and acetone. It is relatively stable under normal conditions but can react with reducing agents. The compound is used in various synthetic transformations due to its reactivity with halogenated species.

How is 4-Iodo-5-methyl-1,2-oxazole (CAS: 7064-38-2) typically synthesized?

4-Iodo-5-methyl-1,2-oxazole can be synthesized via the iodination of 5-methyl-1,2-oxazole with periodic acid in the presence of a suitable catalyst. The reaction is carried out under mild conditions, and the product is isolated via filtration and recrystallization. The yield is typically around 85%, and the purity can be enhanced through recrystallization.

What industries use 4-Iodo-5-methyl-1,2-oxazole (CAS: 7064-38-2)?

4-Iodo-5-methyl-1,2-oxazole (CAS: 7064-38-2) is primarily used in pharmaceuticals for the synthesis of certain intermediates. It is also utilized in the development of sensors and in the production of some polymers. Additionally, it plays a role in the synthesis of materials for semiconductors, though its application in this area is less common.

What precautions should be taken when handling 4-Iodo-5-methyl-1,2-oxazole (CAS: 7064-38-2)?

When handling 4-Iodo-5-methyl-1,2-oxazole (CAS: 7064-38-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed information on safe handling and emergency procedures.