Description

4-Fluoro-3-methylbenzoic acid (CAS No. 403-15-6) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₇FO₂. This white to off-white crystalline solid is an essential building block in pharmaceutical, agrochemical, and material science research. With a purity of ≥97%, it is ideal for synthetic applications, including the preparation of active pharmaceutical ingredients (APIs), liquid crystal materials, and advanced organic intermediates. Its unique fluoromethyl substitution enhances electronic properties, making it valuable for structure-activity relationship (SAR) studies. Packaged under inert conditions to ensure stability, this compound is supplied with comprehensive analytical data (GC/HPLC, NMR) for quality assurance. Store in a cool, dry place away from light.

Properties

• CAS Number: 403-15-6
• Complexity: 158
• IUPAC Name: 4-fluoro-3-methyl-benzoic acid
• InChI: InChI=1S/C8H7FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
• InChI Key: VOCCEVKUXUIHOI-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: CC1=C(C=CC(=C1)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 154.04300762
• Synonyms: 4-Fluoro-3-methylbenzoic acid, 403-15-6, DTXSID80287615, DTXCID80238763, 630-057-2, inchi=1/c8h7fo2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4h,1h3,(h,10,11, 4-fluoro-3-methyl-benzoic acid, MFCD01631424, 4-Fluoro-m-toluic acid, 4-Fluoro-3-methylbenzoicacid, Benzoic acid, 4-fluoro-3-methyl-, NSC51778, 3-Methyl-4-fluorobenzoic, SCHEMBL385343, SCHEMBL18547079, CK2241, NSC-51778, SBB064195, 4-Fluoro-3-methylbenzoic acid, 97%, AKOS005258535, AC-3981, CS-W007680, FS-1097, SY007282, DB-011434, F0560, ST50824453, EN300-69096, Z959335402

4-Fluoro-3-methylbenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactivity enables carboxyl-directed electrophilic substitutions, facilitating the development of novel bioactive compounds. Researchers leverage its fluoromethyl group to modulate lipophilicity and metabolic stability in drug candidates. It also serves as a precursor in liquid crystal and polymer chemistry for advanced material applications.

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 (90%): 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 (90%)

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