Description

4-Trifluoromethylphenol (CAS No. 402-45-9) is a high-purity fluorinated phenolic compound with the molecular formula C₇H₅F₃O. This specialized chemical, also known as 4-(Trifluoromethyl)phenol or 4-Hydroxybenzotrifluoride, features a trifluoromethyl group at the para position of the phenol ring, enhancing its electron-withdrawing properties and reactivity. Ideal for advanced organic synthesis, pharmaceutical intermediates, and agrochemical research, this compound is rigorously tested for purity and consistency. Supplied as a crystalline solid with minimal impurities, it is packaged under inert conditions to ensure stability. Suitable for use in nucleophilic aromatic substitution, cross-coupling reactions, and as a building block for fluorinated materials.

Properties

• CAS Number: 402-45-9
• Complexity: 124
• IUPAC Name: 4-(trifluoromethyl)phenol
• InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
• InChI Key: BAYGVMXZJBFEMB-UHFFFAOYSA-N
• Exact Mass: 162.02924926
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.11
• SMILES: C1=CC(=CC=C1C(F)(F)F)O
• Topological: 20.2
• Monoisotopic Mass: 162.02924926
• Synonyms: 4-(Trifluoromethyl)phenol, 402-45-9, 4-Hydroxybenzotrifluoride, 4-Trifluoromethylphenol, alpha,alpha,alpha-Trifluoro-p-cresol, p-trifluoromethylphenol, Phenol, 4-(trifluoromethyl)-, p-Hydroxybenzotrifluoride, G8PMO13PO4, CHEBI:42578, .alpha.,.alpha.,.alpha.-Trifluoro-p-cresol, EINECS 206-945-7, NSC 88303, NSC-88303, AI3-26185, DTXSID2075392, BAYGVMXZJBFEMB-UHFFFAOYSA-, TRIFLUOROMETHYLPHENOL, P-, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-4-CRESOL, P-CRESOL, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-, TFMP cpd, ALPHA,ALPHA,ALPHA-TRIFLUORO-4-CRESOL, DTXCID9039733, P-CRESOL, ALPHA,ALPHA,ALPHA-TRIFLUORO-, 206-945-7, inchi=1/c7h5f3o/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11h, MFCD00002363, 4-(Trifluoromethyl)-phenol, para-trifluoromethylphenol, p-(Trifluoromethyl)phenol radical cation, 73073-69-5, a,a,a-Trifluoro-p-cresol, 4-trifluoromethyl-phenol, 4-Hydroxy-alpha,alpha,alpha-trifluorotoluene, 4-trifluoromethyphenol, 4-trifiuoromethylphenol, 4-trifluromethyl-phenol, 4-trifluoromethyl phenol, 4-hydroxybenzotri-fluoride, p-(trifluoromethyl)-phenol, UNII-G8PMO13PO4, 4-(trifluoromethyl) phenol, phenol, 4-trifluoromethyl-, SCHEMBL57109, 4-(Trifluoromethyl)phenol #, SCHEMBL186746, CHEMBL539165, SCHEMBL21268187, 4-(trifluoromethyl)phenyl alcohol, SR-1C13, 4-(Trifluoromethyl)phenol, 97%, MLPXZYNPCSAQFS-UHFFFAOYSA-N, NSC88303, CCG-40536, AKOS000121599, AC-2562, AS-8193, CS-W001935, DB03610, FT66959, BP-12755, PD006771, SY002047, DB-006569, 4-(Trifluoromethyl)phenol radical ion(1+), H0644, NS00000312, ST50406639, EN300-16616, alpha,alpha,alpha-Trifluoro-p-cresol p-Hydroxybenz, 4-Hydroxybenzotrifluoride; ?,?,?-Trifluoro-p-cresol, Q27094528, Z56347220, F0001-1137

Application

4-Trifluoromethylphenol is widely utilized as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its electron-deficient aromatic ring makes it valuable in nucleophilic substitution reactions and as a precursor for fluorinated polymers. Researchers employ this compound in the development of bioactive molecules, particularly in medicinal chemistry for drug discovery. It is also used in material science to modify surface properties and enhance chemical resistance in coatings.

Safety and Hazards

GHS Hazard Statements

• H228 (53.6%): Flammable solid [Danger Flammable solids]
• H301 (53.6%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (54.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (54.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (53.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Sol. 1 (53.6%)
• Acute Tox. 3 (53.6%)
• Skin Irrit. 2 (54.8%)
• Eye Dam. 1 (54.8%)
• STOT SE 3 (53.6%)

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