Description

1-Chloro-2-fluoro-4-pentylbenzene (CAS No. 622396-68-3) is a high-purity halogenated aromatic compound with the molecular formula C₁₁H₁₄ClF. This specialty chemical is characterized by its unique structure featuring a chloro- and fluoro-substituted benzene ring with a pentyl side chain, making it a valuable intermediate in organic synthesis and material science. It is supplied as a clear to pale-yellow liquid with a molecular weight of 188.68 g/mol, offering excellent solubility in common organic solvents such as dichloromethane, ethanol, and toluene. Suitable for research and industrial applications, this compound is rigorously tested for purity (typically ≥95% by GC) and stability under recommended storage conditions (2-8°C under inert atmosphere). Ideal for use in pharmaceuticals, agrochemicals, and liquid crystal formulations, it is packaged in amber glass bottles or sealed ampules to ensure longevity and prevent degradation.

Properties

• CAS Number: 622396-68-3
• Complexity: 138
• IUPAC Name: 1-chloro-2-fluoro-4-pentyl-benzene
• InChI: InChI=1S/C11H14ClF/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h6-8H,2-5H2,1H3
• InChI Key: SCSKGCPHZQTTSE-UHFFFAOYSA-N
• Exact Mass: 200.0768063
• Molecular Formula: C11H14ClF
• Molecular Weight: 200.68
• SMILES: CCCCCC1=CC(=C(C=C1)Cl)F
• Monoisotopic Mass: 200.0768063
• Synonyms: 1-Chloro-2-fluoro-4-pentylbenzene, 622396-68-3, SCHEMBL28114780, MFCD28291817

Application

1-Chloro-2-fluoro-4-pentylbenzene serves as a versatile building block in the synthesis of advanced organic materials, including liquid crystals for display technologies. Its halogenated aromatic structure enables participation in cross-coupling reactions (e.g., Suzuki-Miyaura) for pharmaceutical intermediates. The compound is also investigated in agrochemical research for developing novel herbicides and pesticides due to its hydrophobic properties. Researchers utilize it to study structure-activity relationships in fluorinated aromatic systems.

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