Description

4-Fluoro-3-(trifluoromethyl)benzyl alcohol (CAS No. 67515-61-1) is a high-purity fluorinated aromatic alcohol with the molecular formula C₈H₆F₄O. This compound, also known by its IUPAC name [4-fluoro-3-(trifluoromethyl)phenyl]methanol, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring both fluorine and trifluoromethyl groups, enhances its reactivity and utility in nucleophilic substitution reactions, coupling reactions, and as a precursor for advanced intermediates. The product is supplied as a clear, colorless to pale yellow liquid with ≥95% purity (GC), ensuring optimal performance in sensitive applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability.

Properties

• CAS Number: 67515-61-1
• Complexity: 168
• IUPAC Name: [4-fluoro-3-(trifluoromethyl)phenyl]methanol
• InChI: InChI=1S/C8H6F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3,13H,4H2
• InChI Key: DGBDVJVPBJMVDH-UHFFFAOYSA-N
• Exact Mass: 194.03547746
• Molecular Formula: C8H6F4O
• Molecular Weight: 194.13
• SMILES: C1=CC(=C(C=C1CO)C(F)(F)F)F
• Topological: 20.2
• Monoisotopic Mass: 194.03547746
• Synonyms: 67515-61-1, 4-Fluoro-3-(trifluoromethyl)benzyl alcohol, DTXSID70217860, DTXCID20140351, dgbdvjvpbjmvdh-uhfffaoysa-n, (4-Fluoro-3-(trifluoromethyl)phenyl)methanol, [4-Fluoro-3-(trifluoromethyl)phenyl]methanol, MFCD00061171, 3-trifluoromethyl-4-fluorobenzyl alcohol, [4-fluoro-3-(trifluoromethyl)phenyl]methan-1-ol, SCHEMBL93061, SCHEMBL2642102, CK2481, SBB091686, AKOS009157419, CS-W015751, PS-8301, DB-055042, ST50407195, [4-Fluoro-3-(trifluoromethyl)phenyl]methanol #, EN300-1930887

Application

4-Fluoro-3-(trifluoromethyl)benzyl alcohol is widely used as a key intermediate in the synthesis of agrochemicals, pharmaceuticals, and liquid crystal materials. Its fluorinated aromatic core is particularly valuable in designing bioactive molecules with enhanced metabolic stability and lipophilicity. Researchers employ this compound in Suzuki-Miyaura cross-coupling reactions and as a precursor for chiral ligands in asymmetric catalysis. It also serves as a scaffold for developing PET (positron emission tomography) tracers in medical imaging.

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 (83.3%): 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 (83.3%)

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