Methyl 3-iodo-4-methylbenzoate(CAS: 90347-66-3)

CAS Number
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Basic Information
Molecular Formula
C9H9IO2
Molecular Weight
276.07 g/mol
Physical Properties
Melting Point
35°C
Boiling Point
302.9℃ at 760 mmHg
Flash Point
137℃
Water Solubility
Not miscible or difficult to mix with water.
Chemical Identifiers
SMILES
COC(=O)c1ccc(C)c(I)c1
InChIKey
NKMHAOTZPFVSPC-UHFFFAOYSA-N
Database References
MDL Number
MFCD00230583
FAQ
Methyl 3-iodo-4-methylbenzoate (CAS: 90347-66-3) is a solid compound with a crystalline form. It has a molecular weight of approximately 291.98 g/mol. The compound is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. It is less reactive than its parent compound, 3-methyl-4-methylbenzoic acid, due to the presence of the iodine substituent.
Methyl 3-iodo-4-methylbenzoate can be synthesized through a bromination followed by a nucleophilic substitution. A bromination step involving 3-methyl-4-methylbenzoic acid and bromine generates 3-bromo-4-methylbenzoic acid. This intermediate is then treated with sodium iodide in the presence of a base like sodium hydroxide to generate the final product. The reaction is typically conducted in an aqueous medium with good selectivity and a yield of about 75%.
Methyl 3-iodo-4-methylbenzoate (CAS: 90347-66-3) is primarily used in the pharmaceutical industry for the synthesis of certain drug compounds. It can also be utilized in the research and development of new materials, particularly in the field of organic electronics, where its unique electronic properties make it suitable for use in organic semiconductors and sensors.
When handling Methyl 3-iodo-4-methylbenzoate (CAS: 90347-66-3), it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to prevent inhalation of the compound. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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