Description

p-(Trifluoromethoxy)phenol (CAS No. 828-27-3) is a high-purity fluorinated phenolic compound with the molecular formula C₇H₅F₃O₂. This specialty chemical, also known as 4-(trifluoromethoxy)phenol, is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique trifluoromethoxy (-OCF₃) functional group, which enhances lipophilicity and metabolic stability. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal as a building block for synthesizing advanced intermediates, it is particularly valuable in the development of bioactive molecules and liquid crystal materials. Available in quantities from grams to kilograms, with custom packaging options upon request.

Properties

• CAS Number: 828-27-3
• Complexity: 138
• IUPAC Name: 4-(trifluoromethoxy)phenol
• InChI: InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
• InChI Key: WDRJNKMAZMEYOF-UHFFFAOYSA-N
• Exact Mass: 178.02416388
• Molecular Formula: C7H5F3O2
• Molecular Weight: 178.11
• SMILES: C1=CC(=CC=C1O)OC(F)(F)F
• Topological: 29.5
• Monoisotopic Mass: 178.02416388
• Synonyms: 4-(Trifluoromethoxy)phenol, 828-27-3, p-(Trifluoromethoxy)phenol, EINECS 212-583-0, DTXSID60232002, DTXCID20154493, 212-583-0, p-Trifluoromethoxy phenol, 4-Trifluoromethoxyphenol, Phenol, 4-(trifluoromethoxy)-, 4-trifluoromethoxy-phenol, MFCD00040988, CHEMBL2326881, p-trifluoromethoxyphenol, 4-trifluoromethoxy phenol, 4-Hydroxyphenyl Trifluoromethyl Ether, 4-trifluoro methoxyphenol, 4-(trifluoromethoxy)-phenol, 4-(trifluoromethyloxy)-phenol, SCHEMBL162416, SCHEMBL221511, SCHEMBL515461, SCHEMBL1638877, MHTVTJKQAYXOIM-UHFFFAOYSA-N, MLCUUJQEMZNLPZ-UHFFFAOYSA-N, 4-(Trifluoromethoxy)phenol, 98%, BCP31185, BDBM50490492, SBB006554, AKOS005254971, CS-W003970, FT64442, PS-8563, AC-13072, DB-024257, NS00042485, ST50405110, T1341, EN300-91578

Application

p-(Trifluoromethoxy)phenol serves as a key intermediate in pharmaceutical synthesis, particularly for compounds targeting CNS disorders due to its blood-brain barrier permeability. It is employed in agrochemical research to develop herbicides and pesticides with improved environmental persistence. The compound also finds use in materials science for creating fluorinated polymers and liquid crystals with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H301 (10.1%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (46.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (46.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (52.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (48.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (46.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (51.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (10.1%)
• Acute Tox. 4 (46.1%)
• Acute Tox. 4 (46.1%)
• Skin Irrit. 2 (52.8%)
• Eye Irrit. 2 (48.3%)
• Acute Tox. 4 (46.1%)
• STOT SE 3 (51.7%)

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