Description

3-(Trifluoromethyl)phenol (CAS: 98-17-9) is a high-purity aromatic compound with the molecular formula C₇H₅F₃O, widely utilized in pharmaceutical, agrochemical, and material science research. This fluorinated phenol derivative features a trifluoromethyl group at the meta position, enhancing its electron-withdrawing properties and making it a valuable intermediate in organic synthesis. Its stability, reactivity, and solubility in common organic solvents (e.g., ethanol, acetone) make it ideal for nucleophilic substitution reactions, coupling reactions, and as a building block for advanced fluorinated materials. Packaged under inert conditions to ensure longevity, this product is available in quantities ranging from grams to kilograms, with ≥99% purity verified by GC/HPLC. Suitable for high-throughput screening (HTS) and combinatorial chemistry applications.

Properties

• CAS Number: 98-17-9
• Complexity: 132
• IUPAC Name: 3-(trifluoromethyl)phenol
• InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
• InChI Key: UGEJOEBBMPOJMT-UHFFFAOYSA-N
• Exact Mass: 162.02924926
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.11
• SMILES: C1=CC(=CC(=C1)O)C(F)(F)F
• Topological: 20.2
• Monoisotopic Mass: 162.02924926
• Synonyms: 3-(Trifluoromethyl)phenol, 98-17-9, 3-Trifluoromethylphenol, 3-Hydroxybenzotrifluoride, m-Hydroxybenzotrifluoride, Phenol, 3-(trifluoromethyl)-, m-(Trifluoromethyl)phenol, NSC 9884, EINECS 202-645-5, m-CRESOL, alpha,alpha,alpha-TRIFLUORO-, DTXSID7052658, EC 202-645-5, DTXCID8031231, 1-TRIFLUOROMETHYL,3-HYDROXY-BENZENE (3-HYDROXI-TOLUENE,ALPHA,ALPHA,ALPHA-TRIFLUORO), inchi=1/c7h5f3o/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11, m-trifluoromethylphenol, alpha,alpha,alpha-Trifluoro-m-cresol, a,a,a-trifluoro-m-cresol, 5-TRIFLUOROMETHYLPHENOL, 3-Trifluoromethyl-phenol, MFCD00002299, NSC-9884, m-Cresol, .alpha.,.alpha.,.alpha.-trifluoro-, 3-Hydroxy-alpha,alpha,alpha-trifluorotoluene, ALPHA,A,A-Trifluoro-m-cresol, 3-trifluoromethylplienol, m-trifluoromethyl-phenol, 3-trifluoromethyl phenol, meta-trifluoromethylphenol, 3-(triluoromethyl)phenol, 3-hydroxy benzotrifluoride, 3-hydroxy-benzotrifluoride, m-CF3C6H4OH, meta-trifluoromethyl phenol, 3-(trifluoromethyl) phenol, phenol, 3-trifluoromethyl-, R2R9N38UDY, SCHEMBL40389, SCHEMBL66448, CHEMBL57877, SCHEMBL1636904, SCHEMBL2066805, SCHEMBL3081819, SCHEMBL27697381, NSC9884, 3-(Trifluoromethyl)phenol, 99%, CHEBI:195128, BDBM108237, 3-(1,1,1-trifluoromethyl)phenol, .alpha.,.alpha.-Trifluoro-m-cresol, BBL009723, SBB008329, STL141088, alpha,alpha,alpha,-trifluoro-m-cresol, AKOS000119745, alpha, alpha, alpha-trifluoro-m-cresol, CS-W010869, FH33135, PS-8757, AC-10892, M‐trifluoromethylphenol (Hit 5), DB-028582, .alpha.,.alpha.,.alpha.-Trifluoro-m-cresol, NS00010084, ST50406721, T0436, EN300-20070, D70669, F0001-2315, Z104476676, 1-TRIFLUOROMETHYL,3-HYDROXY-BENZENE (3-HYDROXI-TOLUENE,ALPHA,ALPHA,ALPHA-TRIFLUORO), m-Hydroxybenzotrifluoride ; 3-Hydroxybenzotrifluoride ; 3-(Trifluoromethyl)phenol ; alpha,alpha,alpha-Trifluoro-m-cresol, m-Hydroxybenzotrifluoride; 3-Hydroxybenzotrifluoride; 3-(Trifluoromethyl)phenol; alpha,alpha,alpha-Trifluoro-m-cresol

3-(Trifluoromethyl)phenol is extensively used as a key intermediate in the synthesis of pharmaceuticals, particularly for antifungal and antiviral agents. It serves as a precursor in agrochemical production for crop protection compounds due to its trifluoromethyl group’s metabolic stability. Researchers also employ it in material science to develop fluorinated polymers and liquid crystals with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H301 (31.5%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (33.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (37.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (66.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (33.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (29%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (31.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (32.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (62.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (31.5%)
• Acute Tox. 4 (33.9%)
• Acute Tox. 4 (37.9%)
• Skin Corr. 1 (66.1%)
• Skin Irrit. 2 (33.1%)
• Eye Dam. 1 (29%)
• Eye Irrit. 2 (31.5%)
• STOT SE 3 (32.3%)
• Aquatic Chronic 3 (62.1%)

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