4-Iodo-1,2-oxazole

Basic Information

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CAS Number

847490-69-1

Molecular Formula

C3H2INO

Molecular Weight

194.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Boiling Point

214.8°C at 760 mmHg

Density

2.227

Flash Point

83.724°C

Refractive Index

1.59

SMILES

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Ic1cnoc1

InChI

InChI=1S/C3H2INO/c4-3-1-5-6-2-3/h1-2H

InChIKey

BKACOOKVHZFHEW-UHFFFAOYSA-N

LogP

1.2792

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

50.1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

4-Iodoisoxazole
4-iodo-1,2-oxazole
Isoxazole,4-iodo-
4-Iodo-isoxazole
Isoxazole,4-iodo
Isoxazole, 4-iodo-
C3H2INO
BKACOOKVHZFHEW-UHFFFAOYSA-N
BCP07767
ZB0086
FCH880173
AX8159090
AB0026974
W8742
ST24029135
J3.601.923I

MDL Number

MFCD09999222

Customs Code

2934999090

FAQ

What is 4-Iodo-1,2-oxazole (CAS: 847490-69-1)?

4-Iodo-1,2-oxazole is an organic compound with the chemical formula C3H3IO2. It is a colorless crystalline solid with a characteristic odor. This compound is known for its high reactivity and is used in various chemical syntheses and as a reagent in organic chemistry.

What are the main uses of 4-Iodo-1,2-oxazole (CAS: 847490-69-1)?

4-Iodo-1,2-oxazole is primarily used as a reagent in organic synthesis, particularly in the formation of heterocyclic compounds. It has applications in the pharmaceutical industry for developing new drugs and in research for studying chemical reactions and properties of related compounds.

Is 4-Iodo-1,2-oxazole (CAS: 847490-69-1) safe?

4-Iodo-1,2-oxazole can be hazardous due to its reactivity and potential to release iodine vapor. Proper handling is required, including the use of personal protective equipment such as gloves, goggles, and a lab coat. It is recommended to store it in a cool, well-ventilated area away from heat sources and oxidizers.

How should 4-Iodo-1,2-oxazole (CAS: 847490-69-1) be stored?

4-Iodo-1,2-oxazole should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent exposure to air and moisture. Ensure the storage area is well-ventilated to minimize the risk of iodine vapor accumulation.