Ethyl 5-iodo-2-methylbenzoate

Basic Information

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CAS Number

612833-45-1

Molecular Formula

C10H11IO2

Molecular Weight

290.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCOC(=O)C1=C(C=CC(=C1)I)C

InChI

InChI=1S/C10H11IO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3

InChIKey

KIXOYKIVPNXTDY-UHFFFAOYSA-N

Complexity

182

Synonyms & References

English

Ethyl 5-iodo-2-methylbenzoate
5-iodo-2-methylBenzoic acid ethyl ester
AS02168
CTK8E2431
ethyl 5-iodanyl-2-methyl-benzoate
SBB068165
SureCN4149582
612833-45-1
5-iodo-2-methyl-benzoic acid ethyl ester
CS-0096412
DB-072928
SCHEMBL4149582
MFCD11112849
A833144
AS-42973
Ethyl5-iodo-2-methylbenzoate
ethyl 5-iodo-2-methylbenzoate
DTXSID80661133
AKOS015843500
KIXOYKIVPNXTDY-UHFFFAOYSA-N
5-iodo-2-methylbenzoic acid ethyl ester

MDL Number

MFCD11112849

FAQ

What are the physical and chemical properties of Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1)?

Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1) has a crystalline form and a molecular weight of approximately 328.05 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive and can undergo nucleophilic substitution reactions due to the presence of the iodine atom.

How is Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1) typically synthesized?

Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1) can be synthesized through the Williamson ether synthesis, where 5-iodo-2-methylbenzoic acid is reacted with methyl iodide in the presence of a base like sodium hydroxide. The reaction is typically carried out in an inert solvent like toluene, and the yield is approximately 75-85%.

What industries use Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1)?

Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, as a precursor in organic synthesis, and in the chemical industry for the production of various compounds. It is also utilized in the polymer industry as a stabilizer and in the semiconductor industry for photoresist applications.

What precautions should be taken when handling Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1)?

When handling Ethyl 5-iodo-2-methylbenzoate (CAS: 612833-45-1), wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Store the compound in a cool, dry place away from direct sunlight. In case of spill, use appropriate spill kits and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.