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Atomfair 5-Iodo-2-methylbenzoic acid C8H7IO2 CAS 54811-38-0

5-Iodo-2-methylbenzoic acid (CAS: 54811-38-0) is a high-purity iodinated aromatic carboxylic acid with the molecular formula C8H7IO2. This compound is a valuable building block in organic synthesis, particularly for pharmaceutical and agrochemical research. Its structure features a methyl group at the 2-position and an iodine substituent at the 5-position of the benzoic acid ring, offering unique reactivity for cross-coupling reactions such as Suzuki-Miyaura or Sonogashira couplings. With a molecular weight of 262.05 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for use in drug discovery, material science, and as a precursor for advanced…

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Description

5-Iodo-2-methylbenzoic acid (CAS: 54811-38-0) is a high-purity iodinated aromatic carboxylic acid with the molecular formula C8H7IO2. This compound is a valuable building block in organic synthesis, particularly for pharmaceutical and agrochemical research. Its structure features a methyl group at the 2-position and an iodine substituent at the 5-position of the benzoic acid ring, offering unique reactivity for cross-coupling reactions such as Suzuki-Miyaura or Sonogashira couplings. With a molecular weight of 262.05 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for use in drug discovery, material science, and as a precursor for advanced intermediates. Store in a cool, dry place away from light and moisture to ensure stability.

Properties

  • CAS Number: 54811-38-0
  • Complexity: 158
  • IUPAC Name: 5-iodo-2-methyl-benzoic acid
  • InChI: InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
  • InChI Key: WUBHOZQZSHGUFI-UHFFFAOYSA-N
  • Exact Mass: 261.94908
  • Molecular Formula: C8H7IO2
  • Molecular Weight: 262.04
  • SMILES: CC1=C(C=C(C=C1)I)C(=O)O
  • Topological: 37.3
  • Monoisotopic Mass: 261.94908
  • Synonyms: 5-Iodo-2-methylbenzoic acid, 54811-38-0, DTXSID40347446, EC 611-200-8, DTXCID70298518, 611-200-8, 2-Methyl-5-Iodobenzoic acid, 5-Iodo-2-Methyl Benzoic Acid, Benzoic acid, 5-iodo-2-methyl-, 5-Iodo-o-toluic Acid, MFCD01570258, 5-Iodo-2-methylbenzoicacid, TZR47NR9ZG, SCHEMBL1320693, 5-Iodo-2-methylbenzoic acid #, Benzoic acid, 3-iodo-6-methyl-, BCP08718, CS-D1105, SBB063513, AKOS005146256, AC-1065, DS-0278, SY021476, DB-007063, I0916, NS00008043, EN300-107760, Z1269149718

5-Iodo-2-methylbenzoic acid is widely utilized as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its iodine moiety enables efficient participation in palladium-catalyzed cross-coupling reactions, making it valuable for constructing complex aromatic systems. Researchers employ this compound in the development of novel active ingredients and ligands for catalysis. It is also used in academic settings for teaching advanced organic synthesis techniques. Handle with standard laboratory precautions to avoid exposure.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (80%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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