Description

3-Fluoro-5-(trifluoromethyl)phenol (CAS No. 172333-87-8) is a high-purity fluorinated phenolic compound with the molecular formula C₇H₄F₄O. This specialty chemical is synthesized under stringent conditions to ensure exceptional quality, making it ideal for advanced research and industrial applications. Its unique structure, featuring both fluorine and trifluoromethyl substituents, enhances its reactivity and utility in organic synthesis, pharmaceuticals, and material science. Available in various quantities, this compound is characterized by its stability, precise composition, and compatibility with demanding experimental protocols. Suitable for use as a building block in medicinal chemistry, agrochemical development, and functional material design.

Properties

• CAS Number: 172333-87-8
• Complexity: 156
• IUPAC Name: 3-fluoro-5-(trifluoromethyl)phenol
• InChI: InChI=1S/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
• InChI Key: VNTKPYNBATZMSV-UHFFFAOYSA-N
• Exact Mass: 180.01982740
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.10
• SMILES: C1=C(C=C(C=C1O)F)C(F)(F)F
• Topological: 20.2
• Monoisotopic Mass: 180.01982740
• Synonyms: 3-Fluoro-5-(trifluoromethyl)phenol, 172333-87-8, DTXSID70372160, DTXCID30323193, 3-FLUORO-5-TRIFLUOROMETHYLPHENOL, MFCD00061288, 5-fluoro-3-(trifluoromethyl)phenol, 3-fluoranyl-5-(trifluoromethyl)phenol, Phenol, 3-fluoro-5-(trifluoromethyl)-, SCHEMBL77464, SCHEMBL3457846, SCHEMBL3694839, 3-fluoro-5-trifluoromethyl-phenol, CL8491, SBB089616, AKOS006229789, CS-W017230, AS-46037, SY101091, DB-043895, ST50827638, 5-Fluoro-alpha,alpha,alpha-trifluoro-m-cresol, EN300-342393, A807765, A811405

Application

3-Fluoro-5-(trifluoromethyl)phenol serves as a versatile intermediate in pharmaceutical research, particularly in the synthesis of fluorinated drug candidates. Its electron-withdrawing properties make it valuable for designing bioactive molecules with enhanced metabolic stability. Additionally, it is employed in agrochemical formulations to develop novel pesticides and herbicides. Researchers also utilize this compound in material science for creating specialized polymers and coatings with unique fluorinated properties.

Safety and Hazards

GHS Hazard Statements

• H227 (16.7%): Combustible liquid [Warning Flammable liquids]
• H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• H412 (16.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P260, P261, P262, 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, P361+P364, P362+P364, P363, P370+P378, P391, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (16.7%)
• Acute Tox. 3 (16.7%)
• Acute Tox. 4 (83.3%)
• Acute Tox. 3 (16.7%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (33.3%)
• Eye Dam. 1 (16.7%)
• Eye Irrit. 2 (16.7%)
• Acute Tox. 4 (83.3%)
• STOT SE 3 (33.3%)
• Aquatic Chronic 3 (16.7%)

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