CAS 54811-38-0: 5-Iodo-2-methylbenzoic acid

Description: 5-Iodo-2-methylbenzoic acid is an aromatic carboxylic acid characterized by the presence of an iodine atom and a methyl group on a benzoic acid framework. Its molecular structure features a benzene ring substituted at the 2-position with a methyl group and at the 5-position with an iodine atom, contributing to its unique chemical properties. This compound typically appears as a white to off-white solid and is sparingly soluble in water, but more soluble in organic solvents such as ethanol and acetone. The presence of the iodine atom can influence its reactivity, making it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the carboxylic acid functional group allows for various chemical reactions, including esterification and amidation. Safety data indicates that, like many halogenated compounds, it should be handled with care, as it may pose health risks if ingested or inhaled. Overall, 5-Iodo-2-methylbenzoic acid is a valuable compound in synthetic organic chemistry.

Formula: C₈H₇IO₂

InChI: InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChI key: InChIKey=WUBHOZQZSHGUFI-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC(I)=CC=C1C

Synonyms:

• 2-Methyl-5-Iodobenzoic acid
• 5-Iodo-2-Methybenzoic Acid
• 5-Iodo-2-Methylbenzoic acid
• Benzoic acid, 5-iodo-2-methyl-

5-Iodo-o-toluic Acid

CAS: 54811-38-0

• Formula: C₈H₇IO₂
• Purity: >98.0%(GC)(T)
• Color and Shape: White to Almost white powder to crystal
• Molecular weight: 262.05

5-Iodo-2-methylbenzoic acid

CAS: 54811-38-0

• Formula: C₈H₇IO₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 262.0444

5-Iodo-2-methylbenzoic acid

CAS: 54811-38-0

• Formula: C₈H₇IO₂
• Purity: 98+%
• Color and Shape: off-white solid
• Molecular weight: 262.04g/mol

5-Iodo-2-methylbenzoic acid

CAS: 54811-38-0

• Purity: 98.0%
• Color and Shape: Solid
• Molecular weight: 262.0459899902344

5-Iodo-2-methylbenzoic acid

CAS: 54811-38-0

Intermediate in the synthesis of canagliflozin

• Formula: C₈H₇IO₂
• Purity: Min. 95%
• Molecular weight: 262.04 g/mol