Atomfair [3-Fluoro-5-(trifluoromethyl)phenyl]methanol C8H6F4O CAS 184970-29-4

Description

[3-Fluoro-5-(trifluoromethyl)phenyl]methanol (CAS No. 184970-29-4) is a high-purity fluorinated aromatic alcohol with the molecular formula C₈H₆F₄O. This compound features a benzyl alcohol moiety substituted with both fluorine and trifluoromethyl groups at the 3- and 5-positions, respectively, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its unique electronic and steric properties enhance reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced fluorinated materials. Supplied as a clear to pale-yellow liquid or low-melting solid, it is rigorously tested for purity (typically ≥95% by GC or HPLC) and stored under inert conditions to ensure stability. Ideal for researchers developing novel agrochemicals, pharmaceuticals, or liquid crystals requiring fluorinated building blocks.

Properties

• CAS Number: 184970-29-4
• Complexity: 168
• IUPAC Name: [3-fluoro-5-(trifluoromethyl)phenyl]methanol
• InChI: InChI=1S/C8H6F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3,13H,4H2
• InChI Key: LTWAIZVPDMHGOE-UHFFFAOYSA-N
• Exact Mass: 194.03547746
• Molecular Formula: C8H6F4O
• Molecular Weight: 194.13
• SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CO
• Topological: 20.2
• Monoisotopic Mass: 194.03547746
• Synonyms: [3-Fluoro-5-(trifluoromethyl)phenyl]methanol, (3-fluoro-5-(trifluoromethyl)phenyl)methanol, 671-094-4, 3-Fluoro-5-(trifluoromethyl)benzyl alcohol, 184970-29-4, 3-fluoro-5-(trifluoromethyl)benzylalcohol, MFCD00061169, [5-fluoro-3-(trifluoromethyl)phenyl]methan-1-ol, Benzenemethanol, 3-fluoro-5-(trifluoromethyl)-, SCHEMBL3279032, SCHEMBL3279035, SCHEMBL16957644, DTXSID40343342, CK2484, SBB064348, AKOS005258193, AC-9746, CS-W010666, PS-8302, SY018435, DB-044546, ST50407137, EN300-153866, [3-Fluoro-5-(trifluoromethyl)phenyl]methanol #

Application

[3-Fluoro-5-(trifluoromethyl)phenyl]methanol serves as a versatile synthon in medicinal chemistry for introducing fluorinated phenyl motifs into drug candidates, enhancing metabolic stability and bioavailability. It is employed in Suzuki-Miyaura couplings to create biaryl structures for kinase inhibitors or PET radiotracers. The trifluoromethyl group also facilitates applications in agrochemical synthesis, particularly for herbicides and fungicides with improved lipophilicity.

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. 2A (100%)
• STOT SE 3 (83.3%)

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