Description

Ethyl 2,4-Difluorobenzoate (CAS No. 108928-00-3) is a high-purity fluorinated benzoate ester with the molecular formula C₉H₈F₂O₂. This specialized organic compound is widely utilized in pharmaceutical and agrochemical research due to its role as a versatile intermediate in synthesis. Its distinct structural features, including the ethyl ester group and difluoro substitution at the 2,4-positions of the benzene ring, make it valuable for constructing complex molecules. Available in >98% purity (GC), this product is rigorously tested for consistency and suitability in sensitive applications. Packaged under inert gas to ensure stability, it is ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for active pharmaceutical ingredients (APIs).

Properties

• CAS Number: 108928-00-3
• Complexity: 184
• IUPAC Name: ethyl 2,4-difluorobenzoate
• InChI: InChI=1S/C9H8F2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
• InChI Key: OPQFYGPAOVCNEQ-UHFFFAOYSA-N
• Exact Mass: 186.04923582
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.15
• SMILES: CCOC(=O)C1=C(C=C(C=C1)F)F
• Topological: 26.3
• Monoisotopic Mass: 186.04923582
• Synonyms: ethyl 2,4-difluorobenzoate, 108928-00-3, Benzoic acid, 2,4-difluoro-, ethyl ester, DTXSID60371889, DTXCID10322922, 600-886-4, 2,4-Difluorobenzoic Acid Ethyl Ester, MFCD00153149, ETHYL2,4-DIFLUOROBENZOATE, 2,4-difluoro-benzoic acid ethyl ester, ethyl-2,4-difluorobenzoate, ethyl 2,4-di-fluorobenzoate, SCHEMBL367075, SBB064610, AKOS008948324, 2,4-Difluorobenzoic acid, ethyl ester, CS-W023088, FD70386, PS-8474, SDCCGMLS-0066271.P001, 2,4-Difluoro-benzoic acid, ethyl ester, E0935, ST50406897, EN300-6722319, Z53836105

Application

Ethyl 2,4-difluorobenzoate serves as a key building block in the synthesis of fluorinated pharmaceuticals, particularly antifungal and antibacterial agents. Its reactivity enables efficient derivatization via ester hydrolysis or nucleophilic aromatic substitution. Researchers also employ it in material science for developing liquid crystals and specialty polymers. The compound’s fluorine atoms enhance metabolic stability in drug design, making it valuable for medicinal chemistry optimization.

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. 2 (100%)
• STOT SE 3 (100%)

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