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Atomfair 4-Iodo-3-nitrobenzoic acid C7H4INO4 CAS 35674-27-2

4-Iodo-3-nitrobenzoic acid (CAS No. 35674-27-2) is a high-purity aromatic carboxylic acid derivative with the molecular formula C7H4INO4. This compound features both an iodine substituent and a nitro group ortho to the carboxylic acid functionality, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its crystalline solid form and well-defined structure (IUPAC name: 4-iodo-3-nitrobenzoic acid ) ensure consistent reactivity in coupling reactions, halogen exchange processes, and as a precursor for heterocyclic compounds. Ideal for researchers requiring precise electrophilic aromatic substitution or metal-catalyzed cross-coupling reactions. Packaged under inert conditions to guarantee stability and purity (>95% by HPLC).

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Description

4-Iodo-3-nitrobenzoic acid (CAS No. 35674-27-2) is a high-purity aromatic carboxylic acid derivative with the molecular formula C7H4INO4. This compound features both an iodine substituent and a nitro group ortho to the carboxylic acid functionality, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its crystalline solid form and well-defined structure (IUPAC name: 4-iodo-3-nitrobenzoic acid) ensure consistent reactivity in coupling reactions, halogen exchange processes, and as a precursor for heterocyclic compounds. Ideal for researchers requiring precise electrophilic aromatic substitution or metal-catalyzed cross-coupling reactions. Packaged under inert conditions to guarantee stability and purity (>95% by HPLC).

Properties

  • CAS Number: 35674-27-2
  • Complexity: 227
  • IUPAC Name: 4-iodo-3-nitro-benzoic acid
  • InChI: InChI=1S/C7H4INO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
  • InChI Key: DNMTZLCNLAIKQC-UHFFFAOYSA-N
  • Exact Mass: 292.91851
  • Molecular Formula: C7H4INO4
  • Molecular Weight: 293.02
  • SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])I
  • Topological: 83.1
  • Monoisotopic Mass: 292.91851
  • Synonyms: 4-iodo-3-nitrobenzoic acid, 35674-27-2, DTXSID70458857, DTXCID60409676, 670-347-6, 3-Nitro-4-iodobenzoic acid, 4-Iodo-3-nitrobenzoicacid, MFCD00502399, Benzoic acid, 4-iodo-3-nitro-, 4-iodo-3-nitro-benzoic Acid, SCHEMBL1766442, DNMTZLCNLAIKQC-UHFFFAOYSA-N, SBB063571, AKOS009462959, CS-W002638, FI70064, AC-24894, DS-15299, SY030127, DB-069246, I0980, EN300-66543, Z424800200

Application

4-Iodo-3-nitrobenzoic acid serves as a key building block in medicinal chemistry for the synthesis of nitroaromatic pharmacophores. It is utilized in Suzuki-Miyaura cross-coupling reactions to create biaryl structures for drug discovery. The compound also finds application in materials science as a precursor for iodine-containing polymers and liquid crystals. Its reactive iodine and nitro groups enable facile derivatization in agrochemical research.

Safety and Hazards

GHS Hazard Statements

  • H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (14.3%)
  • Acute Tox. 4 (14.3%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • Acute Tox. 4 (14.3%)
  • STOT SE 3 (85.7%)

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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).

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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

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  • 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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