Description

3-Fluoro-p-toluic acid (CAS No. 350-28-7) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₇FO₂. This compound, also known as 3-fluoro-4-methylbenzoic acid, is a valuable building block in organic synthesis and pharmaceutical research. Its structure features a fluorine substituent at the 3-position and a methyl group at the 4-position of the benzoic acid ring, offering unique reactivity for derivatization.

Our product is rigorously tested for purity (typically ≥98% by HPLC or GC analysis) and is supplied as a white to off-white crystalline powder. It is packaged under inert conditions to ensure stability and longevity. Ideal for use in cross-coupling reactions, ligand synthesis, and as a precursor for agrochemicals or bioactive molecules, this compound is a must-have for researchers working in medicinal chemistry and material science.

Key Synonyms: 3-Fluoro-4-methylbenzoic acid, 3-Fluoro-p-toluic acid, 3-fluoro-tolic acid, EINECS 206-498-8.

Properties

• CAS Number: 350-28-7
• Complexity: 158
• IUPAC Name: 3-fluoro-4-methyl-benzoic acid
• InChI: InChI=1S/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
• InChI Key: XUQCONCMPCVUDM-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: CC1=C(C=C(C=C1)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 154.04300762
• Synonyms: 3-Fluoro-4-methylbenzoic acid, 350-28-7, 3-Fluoro-p-toluic acid, 3-fluoro-tolic acid, EINECS 206-498-8, DTXSID50188529, NSC 56683, DTXCID60111020, 206-498-8, inchi=1/c8h7fo2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4h,1h3,(h,10,11, 3-Fluoro-4-Methyl-Benzoic Acid, MFCD00002490, 3-fluoro-4-methylbenzoicacid, BENZOIC ACID, 3-FLUORO-4-METHYL-, NSC56683, 3-fluoro4-methylbenzoic acid, SCHEMBL503345, 3-fluoro-4-methyl benzoic acid, SCHEMBL26617160, BBL100257, NSC-56683, SBB004034, STL169011, 3-Fluoro-4-methylbenzoic acid, 95%, AKOS001273036, AC-3978, BH-0441, CS-W001938, FF64209, NCGC00338207-01, SY013052, DB-031123, F0552, NS00041665, ST50824458, EN300-21709, AB00443495-03, F2191-0051, Z104510124

Application

3-Fluoro-p-toluic acid is widely used as a versatile intermediate in pharmaceutical and agrochemical synthesis. Its fluorinated aromatic structure makes it valuable for designing bioactive molecules with enhanced metabolic stability and binding affinity. Researchers utilize this compound in Suzuki-Miyaura and other cross-coupling reactions to create complex heterocycles or functionalized aromatics. It also serves as a precursor for liquid crystal materials and specialty polymers requiring tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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