Description
Ethyl 3-chloro-2-fluorobenzoate (CAS No. 773135-55-0) is a high-purity fluorinated and chlorinated benzoate ester with the molecular formula C9H8ClFO2. This specialized organic compound is meticulously synthesized for use in advanced research and industrial applications, offering exceptional reactivity due to its dual halogen substitution. With a molecular weight of 202.61 g/mol, it is a clear to pale-yellow liquid under standard conditions, characterized by its stability and compatibility with a wide range of chemical transformations. Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science, this compound is rigorously tested to ensure >98% purity (GC) and is available in various packaging options to meet laboratory and bulk-scale demands. Store in a cool, dry place under inert atmosphere to maintain optimal quality.
Properties
- CAS Number: 773135-55-0
- Complexity: 186
- IUPAC Name: ethyl 3-chloro-2-fluoro-benzoate
- InChI: InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3
- InChI Key: MCNAALBXEILIIB-UHFFFAOYSA-N
- Exact Mass: 202.0196853
- Molecular Formula: C9H8ClFO2
- Molecular Weight: 202.61
- SMILES: CCOC(=O)C1=C(C(=CC=C1)Cl)F
- Topological: 26.3
- Monoisotopic Mass: 202.0196853
- Synonyms: Benzoic acid, 3-chloro-2-fluoro-, ethyl ester, Ethyl 3-chloro-2-fluorobenzoate, 773135-55-0, Ethyl 2-fluoro-3-chloro benzoate, MFCD06204525, Ethyl3-chloro-2-fluorobenzoate, SCHEMBL22206861, DTXSID50647505, AKOS016007752, DS-4428, SY103393, 3-Chloro-2-fluorobenzoic acid, ethyl ester, DB-342961
Application
Ethyl 3-chloro-2-fluorobenzoate serves as a versatile building block in organic synthesis, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Its unique halogenated structure enables selective coupling reactions, such as Suzuki-Miyaura cross-coupling, for constructing complex aromatic frameworks. Researchers also utilize it as a precursor for synthesizing liquid crystal materials and specialty polymers. In medicinal chemistry, it is employed to introduce fluorine and chlorine motifs into drug candidates to modulate bioavailability and metabolic stability.
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