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Atomfair Methyl 2-(4-fluoro-3-nitrophenyl)acetate C9H8FNO4 CAS 226888-37-5

Methyl 2-(4-fluoro-3-nitrophenyl)acetate (CAS No. 226888-37-5) is a high-purity organic compound with the molecular formula C9H8FNO4. This ester derivative features a fluorine and nitro-substituted phenyl ring, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. With a molecular weight of 213.16 g/mol, it is characterized by its precise structural configuration and reactivity. The compound is supplied as a crystalline solid or in solution, ensuring compatibility with various reaction conditions. Ideal for researchers and scientists, it is rigorously tested for purity (typically ≥95% by HPLC or GC) and stored under controlled conditions to maintain stability. Suitable for use in Suzuki couplings,…

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Description

Methyl 2-(4-fluoro-3-nitrophenyl)acetate (CAS No. 226888-37-5) is a high-purity organic compound with the molecular formula C9H8FNO4. This ester derivative features a fluorine and nitro-substituted phenyl ring, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. With a molecular weight of 213.16 g/mol, it is characterized by its precise structural configuration and reactivity. The compound is supplied as a crystalline solid or in solution, ensuring compatibility with various reaction conditions. Ideal for researchers and scientists, it is rigorously tested for purity (typically ≥95% by HPLC or GC) and stored under controlled conditions to maintain stability. Suitable for use in Suzuki couplings, nucleophilic substitutions, and other fine chemical applications.

Properties

  • CAS Number: 226888-37-5
  • Complexity: 253
  • IUPAC Name: methyl 2-(4-fluoro-3-nitro-phenyl)acetate
  • InChI: InChI=1S/C9H8FNO4/c1-15-9(12)5-6-2-3-7(10)8(4-6)11(13)14/h2-4H,5H2,1H3
  • InChI Key: XRTVFSTWEJOKNN-UHFFFAOYSA-N
  • Exact Mass: 213.04373590
  • Molecular Formula: C9H8FNO4
  • Molecular Weight: 213.16
  • SMILES: COC(=O)CC1=CC(=C(C=C1)F)[N+](=O)[O-]
  • Topological: 72.1
  • Monoisotopic Mass: 213.04373590
  • Synonyms: Methyl 2-(4-fluoro-3-nitrophenyl)acetate, 226888-37-5, 868-070-2, methyl 4-fluoro-3-nitrophenylacetate, MFCD09909451, SCHEMBL5735718, XRTVFSTWEJOKNN-UHFFFAOYSA-N, BJA88837, AKOS022182232, Methyl2-(4-fluoro-3-nitrophenyl)acetate, DS-16699, SY206917, DB-351773, CS-0042132, EN300-244303

Application

Methyl 2-(4-fluoro-3-nitrophenyl)acetate is widely used as a key synthetic intermediate in the development of pharmaceuticals, particularly for fluorinated drug candidates. Its nitro and ester functional groups enable versatile transformations, such as reductions to amines or hydrolysis to carboxylic acids. Researchers utilize this compound in the synthesis of bioactive molecules, including kinase inhibitors and antimicrobial agents. It is also employed in material science for the preparation of specialty polymers and dyes.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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