Description

Methyl 2,4-Difluorobenzoate (CAS No. 106614-28-2) is a high-purity fluorinated benzoate ester with the molecular formula C₈H₆F₂O₂. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its structure features two fluorine atoms at the 2- and 4-positions of the benzene ring, enhancing its reactivity and utility in cross-coupling reactions. The methyl ester group provides an excellent handle for further derivatization. Available in >98% purity (GC), it is supplied in sealed glass vials under inert gas to ensure stability. Ideal for researchers developing novel fluorinated compounds, this product is rigorously tested for consistency and quality.

Properties

• CAS Number: 106614-28-2
• Complexity: 172
• IUPAC Name: methyl 2,4-difluorobenzoate
• InChI: InChI=1S/C8H6F2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
• InChI Key: YQUHULOBTDYMAG-UHFFFAOYSA-N
• Exact Mass: 172.03358575
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.13
• SMILES: COC(=O)C1=C(C=C(C=C1)F)F
• Topological: 26.3
• Monoisotopic Mass: 172.03358575
• Synonyms: Methyl 2,4-difluorobenzoate, 106614-28-2, Benzoic acid, 2,4-difluoro-, methyl ester, YQUHULOBTDYMAG-UHFFFAOYSA-, DTXSID30382341, DTXCID60333366, 600-756-7, inchi=1/c8h6f2o2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4h,1h3, 2,4-difluoro-benzoic acid methyl ester, 2,4-Difluorobenzoic Acid Methyl Ester, MFCD03093799, Methyl 2,4-difluoro benzoate, methyl-2,4-difluorobenzoate, EJ9VNB43AG, methyl 2,4-diflourobenzoate, SCHEMBL523258, SCHEMBL3085142, SCHEMBL6968044, SCHEMBL26131904, METHYL2,4-DIFLUOROBENZOATE, BCP23102, Methyl 2,4-difluorobenzoate, 97%, BBL101605, SBB063010, STL555401, AKOS005259578, CS-W004937, PS-8668, 2.4-difluoro-benzoic acid methyl ester, SY016252, DB-002131, M1879

Application

Methyl 2,4-Difluorobenzoate is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, including protease inhibitors and antifungal agents. Its electron-deficient aromatic ring makes it suitable for nucleophilic aromatic substitution (S_NAr) reactions. Researchers also employ it in the development of liquid crystals and advanced materials due to its unique electronic properties. The compound’s stability under acidic conditions further expands its utility in multi-step synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (95.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (95.3%): 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 (95.3%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (95.3%)
• STOT SE 3 (95.3%)

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