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Atomfair 2-(4-Fluoro-2-nitrophenyl)acetic acid C8H6FNO4 CAS 39616-95-0

2-(4-Fluoro-2-nitrophenyl)acetic acid (CAS No. 39616-95-0) is a high-purity aromatic carboxylic acid derivative with the molecular formula C8H6FNO4. This compound features a fluoro-substituted nitrophenyl group attached to an acetic acid moiety, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 199.14 g/mol, it is supplied as a fine crystalline powder or solid, ensuring consistent reactivity and solubility in common organic solvents. Ideal for researchers and scientists, this product is rigorously tested for purity (typically ≥95-98% by HPLC or GC analysis) and is packaged under inert conditions to maintain stability. Suitable for use in peptide…

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Description

2-(4-Fluoro-2-nitrophenyl)acetic acid (CAS No. 39616-95-0) is a high-purity aromatic carboxylic acid derivative with the molecular formula C8H6FNO4. This compound features a fluoro-substituted nitrophenyl group attached to an acetic acid moiety, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 199.14 g/mol, it is supplied as a fine crystalline powder or solid, ensuring consistent reactivity and solubility in common organic solvents. Ideal for researchers and scientists, this product is rigorously tested for purity (typically ≥95-98% by HPLC or GC analysis) and is packaged under inert conditions to maintain stability. Suitable for use in peptide coupling, heterocycle synthesis, and as a building block for fluorinated active pharmaceutical ingredients (APIs).

Properties

  • CAS Number: 39616-95-0
  • Complexity: 240
  • IUPAC Name: 2-(4-fluoro-2-nitro-phenyl)acetic acid
  • InChI: InChI=1S/C8H6FNO4/c9-6-2-1-5(3-8(11)12)7(4-6)10(13)14/h1-2,4H,3H2,(H,11,12)
  • InChI Key: LAFOTQFKZXKMFD-UHFFFAOYSA-N
  • Exact Mass: 199.02808583
  • Molecular Formula: C8H6FNO4
  • Molecular Weight: 199.14
  • SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])CC(=O)O
  • Topological: 83.1
  • Monoisotopic Mass: 199.02808583
  • Synonyms: 2-(4-Fluoro-2-nitrophenyl)acetic acid, 39616-95-0, 985-523-0, 4-Fluoro-2-nitrophenylacetic acid, 4-fluoro-2-nitro-Benzeneacetic acid, 2-(4-Fluoro-2-nitrophenyl)aceticacid, Benzeneacetic acid, 4-fluoro-2-nitro-, 4-fluoro-2nitrophenylacetic acid, MFCD04108376, SCHEMBL2989578, SCHEMBL2989584, LAFOTQFKZXKMFD-UHFFFAOYSA-N, AKOS005215764, AS-53564, DB-349214, CS-0099217, EN300-249023, P16677

Application

2-(4-Fluoro-2-nitrophenyl)acetic acid is widely employed as a key synthetic intermediate in medicinal chemistry for the development of fluorinated drug candidates. Its reactive carboxyl group enables facile conjugation to amines or alcohols via ester/amide formation, while the nitro group serves as a precursor for reduced aniline derivatives. This compound is particularly useful in the synthesis of protease inhibitors, kinase modulators, and other bioactive molecules targeting CNS disorders. Researchers also utilize it in material science for designing fluorinated polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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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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