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Atomfair Methyl 3-fluorophenylacetate C9H9FO2 CAS 64123-77-9

Methyl 3-fluorophenylacetate (CAS No. 64123-77-9) is a high-purity fluorinated aromatic ester with the molecular formula C9H9FO2. This compound, also known by its IUPAC name methyl 2-(3-fluorophenyl)acetate , is a versatile building block in organic synthesis and pharmaceutical research. It features a fluorine substituent at the meta position of the phenyl ring, enhancing its reactivity for electrophilic aromatic substitution and cross-coupling reactions. The ester functionality provides excellent solubility in common organic solvents, making it ideal for use in reaction media. Supplied as a clear, colorless to pale yellow liquid with ≥98% purity (GC), it is rigorously tested for consistency and stability.…

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Description

Methyl 3-fluorophenylacetate (CAS No. 64123-77-9) is a high-purity fluorinated aromatic ester with the molecular formula C9H9FO2. This compound, also known by its IUPAC name methyl 2-(3-fluorophenyl)acetate, is a versatile building block in organic synthesis and pharmaceutical research. It features a fluorine substituent at the meta position of the phenyl ring, enhancing its reactivity for electrophilic aromatic substitution and cross-coupling reactions. The ester functionality provides excellent solubility in common organic solvents, making it ideal for use in reaction media. Supplied as a clear, colorless to pale yellow liquid with ≥98% purity (GC), it is rigorously tested for consistency and stability. Suitable for use in peptide synthesis, ligand preparation, and as a precursor for fluorinated active pharmaceutical ingredients (APIs). Packaged under inert gas in amber glass bottles to ensure prolonged shelf life and protection from moisture.

Properties

  • CAS Number: 64123-77-9
  • Complexity: 159
  • IUPAC Name: methyl 2-(3-fluorophenyl)acetate
  • InChI: InChI=1S/C9H9FO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
  • InChI Key: OXYLCGRXCQARQV-UHFFFAOYSA-N
  • Exact Mass: 168.05865769
  • Molecular Formula: C9H9FO2
  • Molecular Weight: 168.16
  • SMILES: COC(=O)CC1=CC(=CC=C1)F
  • Topological: 26.3
  • Monoisotopic Mass: 168.05865769
  • Synonyms: Methyl 3-Fluorophenylacetate, 805-048-3, methyl 2-(3-fluorophenyl)acetate, 64123-77-9, MFCD03093288, methyl (3-fluorophenyl)acetate, (3-Fluorophenyl)acetic acid methyl ester, Benzeneacetic acid, 3-fluoro-, methyl ester, SCHEMBL74878, methyl2-(3-fluorophenyl)acetate, DTXSID60370130, OXYLCGRXCQARQV-UHFFFAOYSA-N, PCA12377, AKOS008910110, 3-Fluorophenylacetic Acid Methyl Ester, KE-0722, SY051263, (3-fluoro-phenyl)-acetic acid methyl ester, 2-(3-Fluorophenyl)acetic acid methyl ester, DB-073445, CS-0088534, M2536, ST50406083, EN300-6759421

Application

Methyl 3-fluorophenylacetate is widely employed as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its meta-fluorine substitution pattern is particularly valuable for modulating the bioactivity and metabolic stability of drug candidates. Researchers utilize this compound in Suzuki-Miyaura and Heck cross-coupling reactions to construct complex fluorinated scaffolds. It also serves as a precursor for non-steroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. The ester group can be hydrolyzed or transesterified for further functionalization in medicinal chemistry workflows.

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 (100%): 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 (100%)

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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.

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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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