Description

3-Fluoro-2-methylbenzoic acid (CAS No. 699-90-1) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₇FO₂. This compound is widely utilized in pharmaceutical research, agrochemical synthesis, and advanced material science due to its versatile reactivity and fluorine substitution. With a purity of ≥99%, it is ideal for precision applications requiring strict quality control. The compound features a methyl group and a fluorine atom adjacent to the carboxylic acid moiety, enabling selective functionalization in organic synthesis. Packaged under inert conditions to ensure stability, this product is suitable for researchers and industrial scientists seeking reliable fluorinated building blocks.

Properties

• CAS Number: 699-90-1
• Complexity: 158
• IUPAC Name: 3-fluoro-2-methyl-benzoic acid
• InChI: InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
• InChI Key: XMKZAIHFVHJGPV-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: CC1=C(C=CC=C1F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 154.04300762
• Synonyms: 3-Fluoro-2-methylbenzoic acid, 699-90-1, DTXSID40289271, DTXCID30240417, 629-980-3, inchi=1/c8h7fo2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4h,1h3,(h,10,11, 2-methyl-3-fluoro benzoic acid, MFCD00075246, 3-Fluoro-2-methyl-Benzoic acid, 3-Fluoro-2-methylbenzoicacid, Benzoic acid, 3-fluoro-2-methyl-, 2-methyl-3-fluorobenzoic acid, 6-Fluortoluylsaure, NSC60050, SCHEMBL504015, SCHEMBL4451884, SCHEMBL8089292, XMKZAIHFVHJGPV-UHFFFAOYSA-N, BBL100623, CL8085, NSC 60050, NSC-60050, SBB062992, STL554417, 3-Fluoro-2-methylbenzoic acid, 99%, AKOS005254723, AC-3977, CS-W009095, FS-2196, SY017155, DB-031122, ST50409116, EN300-125899, AE-562/40229928, Z1255399123

3-Fluoro-2-methylbenzoic acid serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) with enhanced bioavailability. It is also employed in agrochemical research for designing novel herbicides and pesticides. Additionally, its fluorinated structure makes it valuable in material science for creating specialty polymers and liquid crystals.

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