Description

3,5-Bis(trifluoromethyl)phenylacetic acid (CAS No. 85068-33-3) is a high-purity fluorinated organic compound with the molecular formula C₁₀H₆F₆O₂. This white to off-white crystalline solid is a versatile building block in pharmaceutical, agrochemical, and materials science research. The presence of two strong electron-withdrawing trifluoromethyl groups enhances its reactivity, making it particularly valuable for nucleophilic substitution reactions and as a precursor for more complex fluorinated compounds. With a molecular weight of 272.15 g/mol, it offers excellent solubility in common organic solvents like DMSO, methanol, and dichloromethane. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed packaging under inert gas to maintain stability. Ideal for use in Suzuki couplings, peptide synthesis, and as a ligand modifier in catalysis.

Properties

• CAS Number: 85068-33-3
• Complexity: 286
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid
• InChI: InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
• InChI Key: PAWSKKHEEYTXSA-UHFFFAOYSA-N
• Exact Mass: 272.02719840
• Molecular Formula: C10H6F6O2
• Molecular Weight: 272.14
• SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(=O)O
• Topological: 37.3
• Monoisotopic Mass: 272.02719840
• Synonyms: 3,5-Bis(trifluoromethyl)phenylacetic acid, 85068-33-3, Benzeneacetic acid, 3,5-bis(trifluoromethyl)-, YW9DB76S84, 3,5-bis(trifluoromethyl)benzeneacetic acid, EINECS 285-295-6, DTXSID10234137, DTXCID10156628, 285-295-6, 2-(3,5-bis(trifluoromethyl)phenyl)acetic acid, 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid, MFCD00009908, 3,5-bis-trifluoromethylphenylacetic acid, [3,5-Bis(trifluoromethyl)phenyl]acetic acid, UNII-YW9DB76S84, SCHEMBL504122, CK2082, SBB001068, AKOS005255102, 3,5-bistrifluoromethylphenylacetic acid, AB01006, AC-2659, PS-7275, 3,5-bis(triflouromethyl)phenylacetic acid, ST057595, SY002443, 3,5-bis(trifluoromethyl) benzeneacetic acid, 3,5-bis(trifluoromethyl)-phenylacetic acid, 3,5-bis(trifluoromethyl)phenyl acetic acid, 3,5-bis-(trifluoromethyl)phenylacetic acid, 3,5-di-(trifluoromethyl)-phenylacetic acid, DB-021985, B1976, CS-0127981, NS00059511, [3,5-Bis(trifluoromethyl)phenyl]acetic acid #, 3,5-Bis(trifluoromethyl)phenylacetic acid, 98%, EN300-1939361, [3,5 -Bis-(trifluoromethyl)-phenyl]-acetic Acid

Application

3,5-Bis(trifluoromethyl)phenylacetic acid serves as a critical intermediate in the synthesis of pharmaceutical compounds, particularly those targeting central nervous system disorders due to its ability to enhance blood-brain barrier penetration. In material science, it’s employed to modify polymer backbones for improved thermal and chemical resistance. The compound also finds use in asymmetric catalysis as a chiral auxiliary and in the development of liquid crystals for advanced display technologies.

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 (97.8%): 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 (97.8%)

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