Description

Benzoic acid, 2-fluoro-, methyl ester (CAS: 394-35-4) is a high-purity fluorinated organic compound with the molecular formula C₈H₇FO₂. This ester derivative of 2-fluorobenzoic acid is widely used in pharmaceutical synthesis, agrochemical research, and material science due to its versatile reactivity and stability. With a purity of ≥97%, it serves as a critical intermediate in the development of specialty chemicals, APIs (Active Pharmaceutical Ingredients), and fine chemicals. Its unique fluorinated structure enhances binding affinity and metabolic stability in drug discovery applications. Packaged under inert conditions to ensure longevity and quality, this product is ideal for researchers requiring precision and reproducibility in synthetic chemistry.

Properties

• CAS Number: 394-35-4
• Complexity: 147
• IUPAC Name: methyl 2-fluorobenzoate
• InChI: InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
• InChI Key: QAFJIJWLEBLXHH-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: COC(=O)C1=CC=CC=C1F
• Topological: 26.3
• Monoisotopic Mass: 154.04300762
• Synonyms: Methyl 2-fluorobenzoate, 394-35-4, Methyl o-fluorobenzoate, Benzoic acid, 2-fluoro-, methyl ester, o-Fluorobenzoic acid, methyl ester, Benzoic acid, o-fluoro-, methyl ester, X3G278U4YT, EINECS 206-894-0, NSC 96624, NSC-96624, DTXSID1059941, DTXCID7039628, 206-894-0, methyl-2-fluorobenzoate, 2-Fluorobenzoic Acid Methyl Ester, MFCD00017913, UNII-X3G278U4YT, SCHEMBL513706, SCHEMBL513707, Methyl 2-fluorobenzoate, 97%, SCHEMBL1355068, SCHEMBL1476818, SCHEMBL16951611, SCHEMBL27579614, QAFJIJWLEBLXHH-UHFFFAOYSA-, 2-fluoro-benzoic acid methyl ester, 2-Fluorobenzoic acid, methyl ester, NSC96624, AB9707, SBB063605, AKOS001428541, CS-W018052, FF70135, PS-8881, SY017085, DB-049414, F0241, NS00030575, ST50409769, EN300-28803, Z19798265, InChI=1/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3

Methyl 2-fluorobenzoate is primarily employed as a key building block in organic synthesis, particularly for introducing fluorine-containing motifs into target molecules. It is used in the preparation of pharmaceuticals, agrochemicals, and liquid crystal materials. Researchers leverage its reactivity in nucleophilic substitution and coupling reactions to develop novel compounds with enhanced bioactivity. Its stability under varied conditions makes it suitable for multi-step synthetic routes in drug discovery.

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 (28.6%): 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 (28.6%)

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