Description

Methyl 2,5-difluorobenzoate (CAS No. 362601-90-9) is a high-purity fluorinated benzoate ester with the molecular formula C₈H₆F₂O₂. This compound is widely utilized in pharmaceutical and agrochemical research as a versatile building block for synthesizing complex molecules. Its distinct difluorinated aromatic structure enhances reactivity and selectivity in cross-coupling reactions, nucleophilic substitutions, and other organic transformations. Available in >98% purity (GC), it is supplied in rigorously tested batches to ensure consistency for sensitive applications. Ideal for medicinal chemistry, material science, and fine chemical synthesis, this product is packaged under inert gas to maintain stability and shipped with comprehensive analytical data (GC/MS, NMR, HPLC).

Properties

• CAS Number: 362601-90-9
• Complexity: 172
• IUPAC Name: methyl 2,5-difluorobenzoate
• InChI: InChI=1S/C8H6F2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
• InChI Key: UDBLTZWJCWPYBA-UHFFFAOYSA-N
• Exact Mass: 172.03358575
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.13
• SMILES: COC(=O)C1=C(C=CC(=C1)F)F
• Topological: 26.3
• Monoisotopic Mass: 172.03358575
• Synonyms: Methyl 2,5-difluorobenzoate, 362601-90-9, DTXSID10381413, DTXCID40332438, 671-030-5, 2,5-Difluorobenzoic acid methyl ester, MFCD03093800, methyl-2,5-difluorobenzoate, Benzoic acid, 2,5-difluoro-, methyl ester, SCHEMBL112046, METHYL2,5-DIFLUOROBENZOATE, Methyl 2,5-difluorobenzoate, 97%, SBB088581, AKOS008981537, CS-W005748, PB42641, PS-8666, 2,5-Difluoro-benzoic acid methyl ester, 2,5-Difluorobenzoic acid, methyl ester, SY011018, DB-069344, EN300-139830

Application

Methyl 2,5-difluorobenzoate serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and liquid crystal materials. Its difluorinated aromatic ring is particularly valuable in designing kinase inhibitors and agrochemicals due to enhanced metabolic stability. Researchers also employ it in Suzuki-Miyaura couplings to introduce fluorinated phenyl motifs into advanced materials.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (97.6%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.6%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (97.6%)
• 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.