Description

3-Fluoro-5-methylbenzoic acid (CAS No. 518070-19-4) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₇FO₂. This compound features a fluorine substituent at the 3-position and a methyl group at the 5-position of the benzoic acid ring, offering unique electronic and steric properties for advanced synthetic applications. Ideal for pharmaceutical intermediates, agrochemical research, and material science, this reagent is rigorously tested for quality, ensuring ≥95% purity (HPLC). Available in convenient quantities (100mg to 10g), it is supplied in sealed, light-resistant packaging to ensure stability. Store at 2-8°C in a dry environment to maintain optimal performance.

Properties

• CAS Number: 518070-19-4
• Complexity: 158
• IUPAC Name: 3-fluoro-5-methyl-benzoic acid
• InChI: InChI=1S/C8H7FO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
• InChI Key: XPUFVYIUPYNLPD-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: CC1=CC(=CC(=C1)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 154.04300762
• Synonyms: 3-Fluoro-5-methylbenzoic acid, 518070-19-4, DTXSID20380937, DTXCID00331962, 629-963-0, MFCD03094313, 3-Fluoro-5-methylbenzoicacid, 3-fluoro-5-methyl-benzoic acid, BENZOIC ACID, 3-FLUORO-5-METHYL-, 5-Fluoro-m-toluic acid, 5-Methyl-3-fluorobenzoic acid, SCHEMBL1056148, SCHEMBL18547005, XPUFVYIUPYNLPD-UHFFFAOYSA-N, BBL101951, SBB052733, STL555748, AKOS005256263, AB13316, AC-3979, CS-W003001, FF70357, FS-2197, SY019007, DB-011416, ST50949567, EN300-91293, AN-584/43499000, Z1201622041

Application

3-Fluoro-5-methylbenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing fluorine and lipophilic methyl group enhance binding affinity in drug design, particularly for CNS-targeting compounds. Researchers also employ it in the development of liquid crystals and specialty polymers due to its structural rigidity and polarity.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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