Description

2-(4-Fluorophenyl)-2-oxoacetic Acid (CAS No. 2251-76-5) is a high-purity fluorinated organic compound with the molecular formula C₈H₅FO₃. This white to off-white crystalline powder is a key intermediate in pharmaceutical and agrochemical synthesis, offering exceptional reactivity due to its α-keto acid functionality and electron-withdrawing fluorine substituent. With a molecular weight of 168.12 g/mol, this compound exhibits excellent solubility in polar organic solvents such as DMSO, methanol, and acetone. Our product is rigorously tested to meet >98% purity standards (HPLC) and is supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Ideal for research in medicinal chemistry, this compound is packaged under inert atmosphere in amber glass vials with PTFE-lined caps to ensure stability. Available in quantities from 100mg to 100g scale with custom synthesis options.

Properties

• CAS Number: 2251-76-5
• Complexity: 194
• IUPAC Name: 2-(4-fluorophenyl)-2-oxo-acetic acid
• InChI: InChI=1S/C8H5FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
• InChI Key: YRGDGXWJSRZRAS-UHFFFAOYSA-N
• Exact Mass: 168.02227218
• Molecular Formula: C8H5FO3
• Molecular Weight: 168.12
• SMILES: C1=CC(=CC=C1C(=O)C(=O)O)F
• Topological: 54.4
• Monoisotopic Mass: 168.02227218
• Synonyms: 2-(4-fluorophenyl)-2-oxoacetic acid, 2251-76-5, 838-704-2, Benzeneacetic acid, 4-fluoro-a-oxo-, (4-Fluorophenyl)glyoxylic acid, (4-fluoro-phenyl)-oxo-acetic acid, MFCD02250293, 4-fluorophenyl glyoxylic acid, SCHEMBL263831, 4-fluorobenzoyl carboxylic acid, CAA25176, (4-Fluorophenyl)(oxo)acetic acid #, 2-(4-fluorophenyl)-2-oxoaceticacid, 4-fluoro-alpha-oxo-Benzeneacetic acid, AKOS003612206, AB11475, AS-44523, SY154260, Benzeneacetic acid, 4-fluoro-.alpha.-oxo-, CS-0102796, EN300-135322, Z381360860

Application

This fluorinated α-keto acid serves as a versatile building block in pharmaceutical research, particularly for developing kinase inhibitors and CNS-active compounds. It’s widely employed in the synthesis of fluorinated heterocycles through condensation reactions with various nucleophiles. Researchers utilize its reactive carbonyl group for preparing Schiff bases and hydrazone derivatives in medicinal chemistry programs. The compound also finds application in material science as a precursor for photoactive materials.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): 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 (50%): 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 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.