Description

5-Fluoro-2-methylphenol (CAS No. 452-85-7) is a high-purity fluorinated phenolic compound with the molecular formula C₇H₇FO. This specialized chemical is widely utilized in pharmaceutical synthesis, agrochemical research, and advanced material science due to its unique structural properties. The compound features a fluorine substituent at the 5-position and a methyl group at the 2-position of the phenol ring, offering distinct electronic and steric characteristics for tailored applications.

Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed, light-resistant containers under inert gas to maintain stability. Suitable for use as a building block in organic synthesis, cross-coupling reactions, and as a precursor for bioactive molecules. Technical data including NMR, MS, and FTIR spectra are available upon request.

Properties

• CAS Number: 452-85-7
• Complexity: 94.9
• IUPAC Name: 5-fluoro-2-methyl-phenol
• InChI: InChI=1S/C7H7FO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
• InChI Key: CKJOSIHYVLHIER-UHFFFAOYSA-N
• Exact Mass: 126.048093005
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• SMILES: CC1=C(C=C(C=C1)F)O
• Topological: 20.2
• Monoisotopic Mass: 126.048093005
• Synonyms: 5-Fluoro-2-methylphenol, 452-85-7, DTXSID20379129, DTXCID80330155, 610-240-3, 4-Fluoro-2-hydroxytoluene, 5-Fluoro-o-cresol, 5-fluoro-2-methyl-phenol, 5-fluoranyl-2-methyl-phenol, MFCD00673009, SCHEMBL129788, SCHEMBL2795012, SCHEMBL15649151, CKJOSIHYVLHIER-UHFFFAOYSA-N, BBL100627, CL8510, SBB085644, STL554421, AKOS005254864, AC-3098, CS-W011163, FF70447, PS-9181, BP-10225, F0632, NS00120712, EN300-112615, A826761

Application

5-Fluoro-2-methylphenol serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly in developing fluorinated drug candidates. It is employed in agrochemical research for creating novel pesticides and herbicides due to its bioactivity-modifying properties. The compound’s unique structure also makes it valuable in material science for designing specialty polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H227 (10%): Combustible liquid [Warning Flammable liquids]
• H302+H312 (10%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
• H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (70%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (10%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P260, P261, P264, P264+P265, P270, P271, P280, 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, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (10%)
• Acute Tox. 4 (60%)
• Acute Tox. 4 (60%)
• Skin Corr. 1C (70%)
• Skin Irrit. 2 (30%)
• Eye Dam. 1 (10%)
• Eye Irrit. 2 (30%)
• STOT SE 3 (30%)

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