Description

2-Fluoro-5-iodobenzoic acid (CAS No. 124700-41-0) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄FIO₂. This compound features a fluorine atom at the ortho position and an iodine substituent at the meta position relative to the carboxylic acid group, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. With a molecular weight of 266.01 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for Suzuki coupling, cross-coupling reactions, and as a precursor for radiolabeling studies due to the reactive iodine moiety. Store in a cool, dry place under inert conditions to ensure stability.

Properties

• CAS Number: 124700-41-0
• Complexity: 163
• IUPAC Name: 2-fluoro-5-iodo-benzoic acid
• InChI: InChI=1S/C7H4FIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
• InChI Key: QNNJHBNTHVHALE-UHFFFAOYSA-N
• Exact Mass: 265.92401
• Molecular Formula: C7H4FIO2
• Molecular Weight: 266.01
• SMILES: C1=CC(=C(C=C1I)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 265.92401
• Synonyms: 2-Fluoro-5-iodobenzoic acid, 124700-41-0, DTXSID10381195, DTXCID30332220, 603-004-6, Benzoic acid, 2-fluoro-5-iodo-, MFCD03094517, 2-Fluoro-5-iodobenzoicacid, 5-IODO-2-FLUOROBENZOIC ACID, SCHEMBL78403, QNNJHBNTHVHALE-UHFFFAOYSA-N, BCP14014, 2-Fluoro-5-iodobenzoic acid, 97%, BBL100409, SBB051445, STL554203, AKOS005145857, Benzoic acid, 2-?fluoro-?5-?iodo-, AC-3964, CS-W007541, PS-7326, SY018260, DB-006127, F0786, EN300-107762, Z1269165995

Application

2-Fluoro-5-iodobenzoic acid is widely used as a key intermediate in organic synthesis, particularly in the preparation of fluorinated and iodinated aromatic compounds for drug discovery. Its reactive iodine group enables efficient cross-coupling reactions (e.g., Sonogashira, Heck) to construct complex molecules. Researchers also utilize it in radiopharmaceutical development for PET imaging probes. The fluorine substituent enhances metabolic stability in bioactive molecules, making it valuable for medicinal chemistry applications.

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 (97.9%): 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. 2 (100%)
• STOT SE 3 (97.9%)

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