Description

2-Fluoro-6-methylbenzoic acid (CAS No. 90259-27-1) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₇FO₂. This compound is a versatile building block in organic synthesis, particularly for pharmaceuticals, agrochemicals, and specialty materials. Its unique structure, featuring both a fluorine substituent and a methyl group on the benzoic acid ring, enables selective reactivity in coupling reactions, esterifications, and derivatizations. Ideal for researchers and industrial scientists, this product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is available in various packaging options, from milligrams to kilograms. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 90259-27-1
• Complexity: 158
• IUPAC Name: 2-fluoro-6-methyl-benzoic acid
• InChI: InChI=1S/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
• InChI Key: WELNSIYTQJSNRP-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: CC1=C(C(=CC=C1)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 154.04300762
• Synonyms: 2-Fluoro-6-methylbenzoic acid, 90259-27-1, DTXSID00541786, DTXCID50492572, 630-091-8, 6-fluoro-2-methylbenzoic acid, MFCD06658162, 2-Fluoro-6-methylbenzoicacid, Benzoic acid, 2-fluoro-6-methyl-, 2-fluoro-6-methyl-benzoic acid, 2-CARBOXY-3-FLUOROTOLUENE, SCHEMBL544028, WELNSIYTQJSNRP-UHFFFAOYSA-N, CL8048, SBB062993, AKOS005258704, AC-3218, CS-W004739, FF67796, FS-2195, SY004929, 2-fluoro-6-methylbenzoic acid, AldrichCPR, DB-005245, EN300-88858, Z600584284

2-Fluoro-6-methylbenzoic acid is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and fine chemicals. Its fluorinated aromatic core is valuable for designing bioactive molecules with enhanced metabolic stability and binding affinity. Applications include the development of herbicides, fungicides, and novel materials for optoelectronics. The compound’s reactivity also makes it suitable for cross-coupling reactions in medicinal chemistry workflows.

Safety and Hazards

GHS Hazard Statements

• H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (35.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (35.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (35.6%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (94.9%)
• Skin Irrit. 2 (35.6%)
• Eye Irrit. 2 (35.6%)
• STOT SE 3 (35.6%)

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