Description

4-Fluoro-2-methylbenzoic acid (CAS: 321-21-1) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₇FO₂. This white to off-white crystalline powder is a versatile building block in organic synthesis, pharmaceutical intermediates, and agrochemical research. With a purity of ≥95%, it offers excellent reactivity for electrophilic aromatic substitution and carboxyl group transformations. The compound is supplied in tightly sealed containers to ensure stability and longevity, with storage recommendations of room temperature in a dry environment. Ideal for researchers requiring precise fluorinated analogs in medicinal chemistry or material science applications.

Properties

• CAS Number: 321-21-1
• Complexity: 158
• IUPAC Name: 4-fluoro-2-methyl-benzoic acid
• InChI: InChI=1S/C8H7FO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
• InChI Key: KDXOONIQRUZGSY-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: 4-Fluoro-2-methylbenzoic acid, 321-21-1, DTXSID40397486, DTXCID70348345, 627-694-3, 4-Fluoro-2-methylbenzoicacid, 4-Fluoro-o-toluic Acid, 2-methyl-4-fluorobenzoic acid, MFCD04115880, Benzoic acid, 4-fluoro-2-methyl-, 4-fluoro-2-methyl-benzoic Acid, SCHEMBL543572, 4-Fluoro-2-methyl benzoic acid, BCP24604, CK2191, SBB062990, 4-Fluoro-2-methylbenzoic acid, 95%, AKOS005063937, AC-3980, FF64210, FS-2198, SY006136, DB-031135, CS-0020153, F0559, EN300-105632, AE-562/43053313, Z732710370

4-Fluoro-2-methylbenzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of non-steroidal anti-inflammatory drugs (NSAIDs) and antifungal agents. Its fluorinated aromatic structure makes it valuable for studying structure-activity relationships in drug design. The compound also serves as a precursor for liquid crystal materials and specialty polymers requiring thermal stability. In agrochemical research, it acts as a building block for herbicides and pesticides with enhanced bioavailability.

Safety and Hazards

GHS Hazard Statements

• H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (87.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (10.6%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (87.2%)
• Skin Irrit. 2 (12.8%)
• Eye Dam. 1 (87.2%)
• Eye Irrit. 2 (12.8%)
• STOT SE 3 (10.6%)

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