Description

3,4,5-Trifluorophenylacetic Acid (CAS No. 209991-62-8) 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 pharmaceutical, agrochemical, and materials science research. With an IUPAC name of 2-(3,4,5-trifluorophenyl)acetic acid, this compound features a phenyl ring with three fluorine substituents at the 3, 4, and 5 positions, coupled with an acetic acid functional group. Its unique electronic properties make it valuable for designing bioactive molecules and advanced materials. Our product is rigorously tested for purity (typically ≥97% by HPLC) and is supplied with full analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Available in research quantities from milligrams to kilograms, it’s packaged under inert atmosphere to ensure stability.

Properties

• CAS Number: 209991-62-8
• Complexity: 186
• IUPAC Name: 2-(3,4,5-trifluorophenyl)acetic acid
• InChI: InChI=1S/C8H5F3O2/c9-5-1-4(3-7(12)13)2-6(10)8(5)11/h1-2H,3H2,(H,12,13)
• InChI Key: PQGPUBAARWWOOP-UHFFFAOYSA-N
• Exact Mass: 190.02416388
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.12
• SMILES: C1=C(C=C(C(=C1F)F)F)CC(=O)O
• Topological: 37.3
• Monoisotopic Mass: 190.02416388
• Synonyms: 3,4,5-Trifluorophenylacetic acid, 209991-62-8, DTXSID70380725, DTXCID50331750, 2-(3,4,5-trifluorophenyl)acetic Acid, Benzeneacetic acid, 3,4,5-trifluoro-, 3,4,5-Trifluorophenylaceticacid, (3,4,5-trifluorophenyl)acetic acid, MFCD00083532, 3,4,5-Trifluorobenzeneacetic acid, SCHEMBL908287, N3G4NF25J2, PQGPUBAARWWOOP-UHFFFAOYSA-N, SBB065960, AKOS005258487, CS-W015910, AC-23891, PS-10101, SY009057, (3,4,5-Trifluorophenyl)acetic acid, AldrichCPR, EN300-1138814

Application

3,4,5-Trifluorophenylacetic acid serves as a key intermediate in pharmaceutical development, particularly for creating fluorinated drug candidates with enhanced metabolic stability. The compound is valuable in agrochemical research for synthesizing novel pesticides and herbicides. Its trifluorophenyl moiety makes it useful in materials science for developing liquid crystals and specialty polymers. Researchers also employ it as a precursor for Suzuki coupling reactions and other cross-coupling methodologies.

Safety and Hazards

GHS Hazard Statements

• H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (20%): 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 (20%): 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 (20%)
• Acute Tox. 4 (20%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (20%)
• 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.