Description

4-Fluoro-3-(trifluoromethyl)phenol (CAS No. 61721-07-1) is a high-purity fluorinated phenolic compound with the molecular formula C₇H₄F₄O. This specialty chemical is designed for advanced research and industrial applications, offering exceptional reactivity due to its electron-withdrawing trifluoromethyl and fluorine substituents. Its precise structure, 4-fluoro-3-(trifluoromethyl)phenol, ensures consistent performance as a building block in pharmaceuticals, agrochemicals, and material science. Available in rigorously controlled batches (≥98% purity by GC), it is supplied in amber glass vials under inert gas to prevent degradation. Ideal for nucleophilic aromatic substitution, cross-coupling reactions, or as a ligand precursor. SDS and analytical certificates (HPLC, NMR) are available upon request.

Properties

• CAS Number: 61721-07-1
• Complexity: 156
• IUPAC Name: 4-fluoro-3-(trifluoromethyl)phenol
• InChI: InChI=1S/C7H4F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
• InChI Key: DHPCRFYUUWAGAH-UHFFFAOYSA-N
• Exact Mass: 180.01982740
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.10
• SMILES: C1=CC(=C(C=C1O)C(F)(F)F)F
• Topological: 20.2
• Monoisotopic Mass: 180.01982740
• Synonyms: 4-Fluoro-3-(trifluoromethyl)phenol, 4-fluoro-3-trifluoromethylphenol, DTXSID70345096, DTXCID70296170, 432-560-0, 61721-07-1, 2-Fluoro-5-hydroxybenzotrifluoride, 3-trifluoromethyl-4-fluorophenol, 4-fluoro-3-trifluoromethyl phenol, phenol, 4-fluoro-3-(trifluoromethyl)-, alpha,alpha,alpha,4-Tetrafluoro-m-cresol, MFCD00043875, SCHEMBL156681, SCHEMBL1283959, 3-trifluoromethyl-4-fluoro phenol, 4-fluoro-3-trifluoromethyl-phenol, 4-fluoro-3-(trifluoromethyl)-phenol, CL8505, SBB089614, 4-Fluoro-3-(trifluoromethyl)phenol #, AKOS005255939, AC-8274, CS-W017233, PS-8540, F0754, NS00120997, ST50827037, EN300-170401

Application

4-Fluoro-3-(trifluoromethyl)phenol serves as a key intermediate in synthesizing fluorinated active pharmaceutical ingredients (APIs), particularly protease inhibitors and kinase modulators. Its electron-deficient aromatic ring enhances electrophilic reactivity in Suzuki-Miyaura and Buchwald-Hartwig couplings. In agrochemical research, it contributes to herbicidal and fungicidal formulations by improving metabolic stability. The compound’s lipophilicity also makes it valuable for tuning solubility in material science applications.

Safety and Hazards

GHS Hazard Statements

• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P264, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (33.3%)
• Eye Irrit. 2 (33.3%)
• Acute Tox. 4 (83.3%)
• STOT SE 3 (33.3%)

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