Description

3-(Trifluoromethoxy)benzyl alcohol (CAS No. 50823-90-0) is a high-purity fluorinated organic compound with the molecular formula C₈H₇F₃O₂. This specialty chemical, also known by its IUPAC name [3-(trifluoromethoxy)phenyl]methanol, features a benzyl alcohol core substituted with a trifluoromethoxy group at the meta position. The presence of both the alcohol and trifluoromethoxy functional groups makes this compound a valuable building block in pharmaceutical, agrochemical, and materials science research. Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed containers under inert atmosphere to guarantee stability. Typical impurities are carefully controlled to meet the exacting standards of advanced synthetic applications. This compound is particularly useful in the synthesis of bioactive molecules where the trifluoromethoxy group can enhance metabolic stability and membrane permeability.

Properties

• CAS Number: 50823-90-0
• Complexity: 158
• IUPAC Name: [3-(trifluoromethoxy)phenyl]methanol
• InChI: InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
• InChI Key: XRGSSROOYSFMMS-UHFFFAOYSA-N
• Exact Mass: 192.03981395
• Molecular Formula: C8H7F3O2
• Molecular Weight: 192.13
• SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CO
• Topological: 29.5
• Monoisotopic Mass: 192.03981395
• Synonyms: 3-(Trifluoromethoxy)benzyl alcohol, 50823-90-0, (3-(Trifluoromethoxy)phenyl)methanol, [3-(Trifluoromethoxy)phenyl]methanol, DTXSID30198848, DTXCID90121339, 642-867-3, m-Trifluoromethoxybenzyl alcohol, MFCD00061270, 3-Trifluoromethoxybenzyl alcohol, [3-(trifluoromethoxy)phenyl]methan-1-ol, Benzenemethanol, 3-(trifluoromethoxy)-, SCHEMBL92907, SCHEMBL1044620, SCHEMBL16960009, SCHEMBL21268176, SCHEMBL28035616, SZILDELELVNEHA-UHFFFAOYSA-N, 3-(Trifluoromethoxy) benzyl alcohol, SBB064447, AKOS009158071, AC-4175, PS-8335, [3-(Trifluoromethoxy)phenyl]methanol #, SY032656, DB-021757, ST50407111, T1955, EN300-97508, C13350, Z1183459206

Application

3-(Trifluoromethoxy)benzyl alcohol serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of CNS-active compounds where the trifluoromethoxy group improves blood-brain barrier penetration. It’s widely used in agrochemical research for creating novel pesticides with enhanced environmental stability. The compound also finds application in materials science as a precursor for specialty polymers with unique fluorinated properties.

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 (75%): 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 (75%)

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