Description

2-(2,4,6-Trifluorophenyl)acetic acid (CAS No. 209991-63-9) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₅F₃O₂. This white to off-white crystalline powder is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 190.12 g/mol, it features a phenylacetic acid core substituted with three fluorine atoms at the 2, 4, and 6 positions, offering unique electronic and steric properties for metal-catalyzed cross-coupling reactions. Our product is rigorously tested by HPLC (>98% purity) and NMR to ensure batch-to-batch consistency. Ideal for Suzuki-Miyaura couplings, peptide modifications, and ligand synthesis. Packaged under inert gas in amber glass vials to ensure stability. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 209991-63-9
• Complexity: 186
• IUPAC Name: 2-(2,4,6-trifluorophenyl)acetic acid
• InChI: InChI=1S/C8H5F3O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)
• InChI Key: NGEKZFHYZPHNKQ-UHFFFAOYSA-N
• Exact Mass: 190.02416388
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.12
• SMILES: C1=C(C=C(C(=C1F)CC(=O)O)F)F
• Topological: 37.3
• Monoisotopic Mass: 190.02416388
• Synonyms: 2-(2,4,6-trifluorophenyl)acetic Acid, 2,4,6-trifluorobenzeneacetic acid, 642-863-1, 2,4,6-Trifluorophenylacetic acid, 209991-63-9, Benzeneacetic acid, 2,4,6-trifluoro-, MFCD00061218, (2,4,6-trifluorophenyl)acetic acid, 2,4,6-Trifluorophenylaceticacid, 2,4,6 trifluorophenyl acetic acid, SCHEMBL153965, DTXSID10380724, NGEKZFHYZPHNKQ-UHFFFAOYSA-N, 2,4,6-trifluoro-phenylacetic acid, 2,4,6-trifluorophenyl acetic acid, BBL103199, CK1037, SBB063254, STL557009, AKOS005258486, AC-9795, FT63991, (2,4,6-Trifluoro-phenyl)-acetic acid, DS-12191, DB-025760, CS-0020109, ST50407104, 2,4,6-trifluorophenylacetic acid, AldrichCPR, A21836, EN300-267442

Application

2-(2,4,6-Trifluorophenyl)acetic acid serves as a key intermediate in the synthesis of bioactive molecules, including non-steroidal anti-inflammatory drugs (NSAIDs) and fluorinated analogs of pharmaceutical compounds. Its trifluorinated aromatic ring enhances metabolic stability in drug candidates, making it valuable for medicinal chemistry applications. The compound is also employed in materials science for designing liquid crystals and fluorinated polymers with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H302 (28.6%): 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 (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 (28.6%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (14.3%)
• 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.