Description

4,4,4-Trifluorobutanoic Acid (CAS: 406-93-9) is a high-purity fluorinated carboxylic acid with the molecular formula C₄H₅F₃O₂. This compound is widely used in pharmaceutical synthesis, agrochemical development, and advanced material research due to its trifluoromethyl group, which enhances metabolic stability and lipophilicity. Available in >97% purity, it is rigorously tested via GC, HPLC, and NMR to ensure consistency for sensitive applications. Ideal for use as a building block in organofluorine chemistry, it is supplied in sealed, light-resistant containers to prevent degradation. Suitable for researchers requiring precise fluorination in drug discovery and specialty chemical manufacturing.

Properties

• CAS Number: 406-93-9
• Complexity: 107
• IUPAC Name: 4,4,4-trifluorobutanoic acid
• InChI: InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
• InChI Key: WTUCTMYLCMVYEX-UHFFFAOYSA-N
• Exact Mass: 142.02416388
• Molecular Formula: C4H5F3O2
• Molecular Weight: 142.08
• SMILES: C(CC(F)(F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 142.02416388
• Synonyms: 406-93-9, 4,4,4-trifluorobutanoic acid, 670-541-0, 4,4,4-Trifluorobutyric Acid, BUTANOIC ACID, 4,4,4-TRIFLUORO-, 4,4,4-trifluoro-butyric acid, C4H5F3O2, MFCD00077604, 4,4,4-TrifluorobutyricAcid, TrFCAs n=2, SCHEMBL38157, trifluoropropylcarboxylic acid, SCHEMBL503581, SCHEMBL865199, 3-trifluoromethylpropionic acid, 4, 4,4-trifluorobutyric acid, 4,4,4,-trifluorobutyric acid, 4,4,4-trifluoro butyric acid, 4,4,4-trifluoro-butanoic acid, DTXSID30380367, 1:3 fluorotelomer carboxylic acid, YGLZPAOQFPGTDO-UHFFFAOYSA-N, ALBB-012055, SBB051072, 4,4,4-Trifluorobutyric acid, 97%, AKOS005063381, CS-W007460, PB42775, 4,4,4-Trifluorobutyric acid, AldrichCPR, AS-18352, SY004841, DB-001275, T2670, EN300-75982, F2191-0043, 1:3 fluorotelomer carboxylic acid, 1:3 fluorotelomer acid

4,4,4-Trifluorobutanoic acid serves as a key intermediate in synthesizing fluorinated pharmaceuticals, including protease inhibitors and anti-inflammatory agents. Its trifluoromethyl group improves bioavailability, making it valuable in medicinal chemistry. The compound is also used in coatings and polymers to enhance chemical resistance. In agrochemicals, it acts as a precursor for herbicides with improved environmental stability. Laboratories utilize it for isotopic labeling studies due to its predictable reactivity.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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