Description

3,3,3-Trifluoro-2,2-dimethylpropanoic acid (CAS No. 889940-13-0) is a high-purity fluorinated carboxylic acid with the molecular formula C₅H₇F₃O₂. This specialty chemical is characterized by its unique trifluoromethyl and dimethyl substitution pattern, which imparts exceptional steric and electronic properties. Ideal for advanced organic synthesis, this compound serves as a versatile building block in pharmaceuticals, agrochemicals, and material science applications. Its robust stability and reactivity make it suitable for nucleophilic substitutions, esterifications, and other derivatizations. Packaged under inert conditions to ensure maximum shelf life and purity, this product is rigorously tested via GC/MS, NMR, and HPLC to meet the stringent demands of research and industrial applications.

Properties

• CAS Number: 889940-13-0
• Complexity: 147
• IUPAC Name: 3,3,3-trifluoro-2,2-dimethyl-propanoic acid
• InChI: InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)
• InChI Key: VMFSJVUPIXOCFO-UHFFFAOYSA-N
• Exact Mass: 156.03981395
• Molecular Formula: C5H7F3O2
• Molecular Weight: 156.10
• SMILES: CC(C)(C(=O)O)C(F)(F)F
• Topological: 37.3
• Monoisotopic Mass: 156.03981395
• Synonyms: 889940-13-0, 3,3,3-trifluoro-2,2-dimethylpropanoic acid, DTXSID00600802, DTXCID80551560, 632-961-2, 3,3,3-Trifluoro-2,2-dimethylpropionic acid, MFCD08445819, 3,3,3-Trifluoro-2,2-dimethyl-propionic acid, SCHEMBL247988, 2-trifluoromethyl-isobutyric acid, BCP05886, BBL102149, SBB087114, STL555948, AKOS005063382, CS-W008045, DS-9198, FT44560, SB40443, SY023457, 3,3,3-trifluoro-2,2-dimethylpropanoicacid, 3,3,3-trifluoro-2,2-dimethylpropionic a&, DB-001240, T3450, EN300-126441, 3,3,3-Trifluoro-2,2-dimethylpropionic acid, 97%

Application

3,3,3-Trifluoro-2,2-dimethylpropanoic acid is widely utilized as a key intermediate in the synthesis of fluorinated bioactive compounds, including pharmaceuticals and agrochemicals. Its sterically hindered structure makes it valuable for designing enzyme inhibitors and receptor modulators in medicinal chemistry. Additionally, this acid is employed in material science for developing fluorinated polymers with enhanced thermal and chemical resistance. Researchers also leverage its unique properties in catalysis and ligand design for asymmetric synthesis.

Safety and Hazards

GHS Hazard Statements

• H314 (18.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (81.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (81.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (18.8%)
• Skin Irrit. 2 (81.2%)
• Eye Irrit. 2 (81.2%)
• STOT SE 3 (87.5%)

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