Description

1-Fluoro-3-pentylbenzene (CAS No. 28593-13-7) is a high-purity fluorinated aromatic compound with the molecular formula C₁₁H₁₅F. This specialty chemical is characterized by a fluorine substituent at the 1-position and a pentyl group at the 3-position of the benzene ring, offering unique reactivity and physicochemical properties. It is supplied as a clear, colorless to pale yellow liquid with a molecular weight of 166.24 g/mol, making it suitable for advanced organic synthesis and material science applications. The compound is rigorously quality-controlled via GC/MS and NMR to ensure ≥95% purity, meeting the stringent requirements of pharmaceutical, agrochemical, and materials research. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 28593-13-7
• Complexity: 112
• IUPAC Name: 1-fluoro-3-pentyl-benzene
• InChI: InChI=1S/C11H15F/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9H,2-4,6H2,1H3
• InChI Key: WZCMASGAHPDHIG-UHFFFAOYSA-N
• Exact Mass: 166.115778641
• Molecular Formula: C11H15F
• Molecular Weight: 166.23
• SMILES: CCCCCC1=CC(=CC=C1)F
• Monoisotopic Mass: 166.115778641
• Synonyms: 1-Fluoro-3-pentylbenzene, 28593-13-7, Benzene, 1-fluoro-3-pentyl-, C11H15F, MFCD22376645, SCHEMBL921132, SCHEMBL1866526, SCHEMBL9431977, SCHEMBL9431981, SCHEMBL12693653, SCHEMBL27427311, SCHEMBL27454258, DTXSID50597334, AKOS016012280, AS-59215, DA-18195, CS-0199075

Application

1-Fluoro-3-pentylbenzene serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated drug candidates, leveraging its electron-withdrawing fluorine moiety to modulate bioavailability. In materials science, it is employed as a precursor for liquid crystals and specialty polymers requiring tailored dielectric properties. The compound’s lipophilic pentyl chain also makes it valuable in agrochemical research for developing fluorinated pesticides with enhanced membrane permeability.

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