Description

4-Fluoro-2-methylphenol (CAS No. 452-72-2) is a high-purity fluorinated phenolic compound with the molecular formula C₇H₇FO. This specialty chemical is rigorously synthesized and purified to meet the stringent requirements of pharmaceutical, agrochemical, and material science research. Its unique structure, featuring both a fluorine substituent and a methyl group on the phenol ring, makes it a valuable intermediate for organic synthesis and medicinal chemistry applications.

Our product is supplied as a crystalline solid with ≥98% purity (GC), ensuring optimal performance in coupling reactions, electrophilic substitutions, and as a building block for advanced fluorinated compounds. Each batch undergoes thorough QC analysis including ¹H/¹⁹F NMR and HPLC to guarantee consistency. Proper storage recommendations: maintain under inert atmosphere at 2-8°C to prevent oxidation.

Key applications include: synthesis of fluorinated liquid crystals, development of PET radiotracers, and creation of bioactive molecules for drug discovery programs. The compound’s IUPAC name is 4-fluoro-2-methylphenol and it is also known by synonyms: GKQDDKKGDIVDAG-UHFFFAOYSA-, DTXSID90196426, and NSC 10340.

Properties

• CAS Number: 452-72-2
• Complexity: 94.9
• IUPAC Name: 4-fluoro-2-methyl-phenol
• InChI: InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
• InChI Key: GKQDDKKGDIVDAG-UHFFFAOYSA-N
• Exact Mass: 126.048093005
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• SMILES: CC1=C(C=CC(=C1)F)O
• Topological: 20.2
• Monoisotopic Mass: 126.048093005
• Synonyms: 4-Fluoro-2-methylphenol, 452-72-2, GKQDDKKGDIVDAG-UHFFFAOYSA-, DTXSID90196426, NSC 10340, DTXCID00118917, 624-166-4, gkqddkkgdivdag-uhfffaoysa-n, inchi=1/c7h7fo/c1-5-4-6(8)2-3-7(5)9/h2-4,9h,1h3, 2-methyl-4-fluorophenol, 4-Fluoro-O-cresol, MFCD00075088, Phenol, 4-fluoro-2-methyl-, 4-fluoro-2-methyl-phenol, NSC10340, 4-Fluoro-2-methyl phenol, SCHEMBL172804, SCHEMBL910094, CHEMBL224550, SCHEMBL1684179, SCHEMBL5658963, SCHEMBL6096203, 4-Fluoro-2-methylphenol, 99%, NSC-10340, SBB085648, AKOS005258074, AC-3802, CCG-302499, CS-W013499, PS-9176, BP-12004, SY020673, DB-024061, F0387, EN300-93413, Z384970672, MWM

Application

4-Fluoro-2-methylphenol serves as a versatile fluorinated building block in medicinal chemistry, particularly for introducing fluorine into lead compounds to enhance metabolic stability and membrane permeability. In material science, it’s employed as a precursor for synthesizing fluorinated polymers with enhanced thermal and chemical resistance. The compound also finds use in developing contrast agents for medical imaging due to the favorable nuclear properties of fluorine-19.

Safety and Hazards

GHS Hazard Statements

• H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, 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. 4 (14.3%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (91.8%)
• Eye Irrit. 2 (91.8%)
• STOT SE 3 (89.8%)

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