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Atomfair 2,4-Difluoro-5-iodobenzoic acid C7H3F2IO2 CAS 161531-51-7

2,4-Difluoro-5-iodobenzoic acid (CAS No. 161531-51-7) is a high-purity halogenated benzoic acid derivative with the molecular formula C7H3F2IO2. This compound features a benzoic acid core substituted with two fluorine atoms at the 2- and 4-positions and an iodine atom at the 5-position, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. Its unique structure enables selective reactivity in cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed transformations. Our product is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and is supplied as a crystalline solid with excellent shelf stability. Ideal for researchers developing fluorinated aromatic compounds, PET…

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Description

2,4-Difluoro-5-iodobenzoic acid (CAS No. 161531-51-7) is a high-purity halogenated benzoic acid derivative with the molecular formula C7H3F2IO2. This compound features a benzoic acid core substituted with two fluorine atoms at the 2- and 4-positions and an iodine atom at the 5-position, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. Its unique structure enables selective reactivity in cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed transformations.

Our product is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and is supplied as a crystalline solid with excellent shelf stability. Ideal for researchers developing fluorinated aromatic compounds, PET radiotracers, or bioactive molecules, this compound is packaged under inert conditions to ensure longevity and performance consistency. Available in quantities from milligrams to kilograms, with custom synthesis options upon request.

Properties

  • CAS Number: 161531-51-7
  • Complexity: 188
  • IUPAC Name: 2,4-difluoro-5-iodo-benzoic acid
  • InChI: InChI=1S/C7H3F2IO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
  • InChI Key: OSBABFNFGBPWGL-UHFFFAOYSA-N
  • Exact Mass: 283.91458
  • Molecular Formula: C7H3F2IO2
  • Molecular Weight: 284.00
  • SMILES: C1=C(C(=CC(=C1I)F)F)C(=O)O
  • Topological: 37.3
  • Monoisotopic Mass: 283.91458
  • Synonyms: 2,4-DIFLUORO-5-IODOBENZOIC ACID, 161531-51-7, DTXSID40456325, DTXCID30407144, 695-851-3, Benzoic acid, 2,4-difluoro-5-iodo-, MFCD11226506, 2,4-difluoro-5-iodo-benzoic Acid, SCHEMBL1045113, OSBABFNFGBPWGL-UHFFFAOYSA-N, BBL100847, STL554641, AKOS005255533, PB47708, 2,4-DIFLUORO-5-IODOBENZOICACID, DS-18325, SY040810, DB-064402, CS-0052150, EN300-113688, AE-641/11400400, A1-01348, Z1269228563

Application

2,4-Difluoro-5-iodobenzoic acid serves as a key building block in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly in oncology and CNS therapeutics. Its iodine moiety facilitates Suzuki-Miyaura or Sonogashira cross-coupling reactions to introduce complex aryl/alkyne groups. The difluoro substitution enhances metabolic stability in bioactive molecules. Researchers also utilize it to prepare iodine-labeled probes for imaging studies or as a precursor for radiopharmaceuticals.

Safety and Hazards

GHS Hazard Statements

  • H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
  • H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

  • P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

Hazard Classes and Categories

  • Skin Corr. 1B (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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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