Description

3,4,5-Trifluorobenzyl alcohol (CAS No. 220227-37-2) is a high-purity fluorinated aromatic alcohol with the molecular formula C₇H₅F₃O. This compound is an essential building block in pharmaceutical and agrochemical synthesis, offering unique reactivity due to its trifluorinated benzene ring. It is characterized by its clear to pale-yellow appearance, typically supplied as a liquid or low-melting solid with a purity of ≥98% (GC). Ideal for nucleophilic substitutions, esterifications, and etherifications, this reagent is widely used in the development of active pharmaceutical ingredients (APIs), liquid crystals, and advanced materials. Packaged under inert gas to ensure stability, it is compatible with standard laboratory and industrial handling procedures.

Properties

• CAS Number: 220227-37-2
• Complexity: 119
• IUPAC Name: (3,4,5-trifluorophenyl)methanol
• InChI: InChI=1S/C7H5F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
• InChI Key: HRSFRSLKOPFWMZ-UHFFFAOYSA-N
• Exact Mass: 162.02924926
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.11
• SMILES: C1=C(C=C(C(=C1F)F)F)CO
• Topological: 20.2
• Monoisotopic Mass: 162.02924926
• Synonyms: 3,4,5-Trifluorobenzyl alcohol, 220227-37-2, DTXSID50380344, DTXCID90331370, hrsfrslkopfwmz-uhfffaoysa-n, (3,4,5-trifluorophenyl)methanol, Benzenemethanol, 3,4,5-trifluoro-, 3,4,5-Trifluorobenzenemethanol, MFCD00083527, (3,4,5-trifluorophenyl)methan-1-ol, SCHEMBL391375, SCHEMBL2089547, SCHEMBL16961905, 3,4,5-trifluoro-benzenemethanol, (3,4,5-trifluoro phenyl)methanol, (3,4,5-trifluoro-phenyl)methanol, (3,4,5-trifluorophenyl) methanol, (3,4,5-trifluoro phenyl) methanol, SBB087574, AKOS009157983, PS-10188, SY022845, DB-001243, ST50407455, EN300-1852025

3,4,5-Trifluorobenzyl alcohol is a versatile intermediate in medicinal chemistry, particularly for synthesizing fluorinated analogs of bioactive molecules. It serves as a key precursor in the production of herbicides, fungicides, and pharmaceutical candidates targeting CNS disorders. The trifluoromethyl group enhances metabolic stability and lipophilicity, making it valuable for drug discovery. It is also employed in materials science for modifying polymer properties and in liquid crystal formulations.

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 (100%): 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 (100%)

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