Description

1-(1-Chloroethyl)-4-fluorobenzene (CAS: 456-16-6) is a high-purity aromatic compound with the molecular formula C₈H₈ClF, designed for advanced research and industrial applications. This specialized chemical features a chloroethyl group adjacent to a fluorine-substituted benzene ring, offering unique reactivity for synthetic organic chemistry, pharmaceuticals, and material science. Our product undergoes rigorous QC testing (HPLC, GC-MS, NMR) to ensure ≥98% purity, making it ideal for precision reactions, cross-coupling studies, and as a building block for fluorinated compounds. Supplied in amber glass vials under inert atmosphere to guarantee stability. SDS and analytical certificates available upon request. GHS hazard classifications apply – handle with appropriate PPE in controlled environments.

Properties

• CAS Number: 456-16-6
• Complexity: 97.4
• IUPAC Name: 1-(1-chloroethyl)-4-fluoro-benzene
• InChI: InChI=1S/C8H8ClF/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3
• InChI Key: ZWOBTWLZWFIELC-UHFFFAOYSA-N
• Exact Mass: 158.0298561
• Molecular Formula: C8H8ClF
• Molecular Weight: 158.60
• SMILES: CC(C1=CC=C(C=C1)F)Cl
• Monoisotopic Mass: 158.0298561
• Synonyms: 1-(1-chloroethyl)-4-fluorobenzene, 456-16-6, DTXSID00406927, DTXCID10357779, 830-420-7, 1-(1-Chloro-ethyl)-4-fluoro-benzene, MFCD06376752, Benzene, 1-(1-chloroethyl)-4-fluoro-, SCHEMBL416903, SCHEMBL930683, ZWOBTWLZWFIELC-UHFFFAOYSA-N, AC6174, AKOS008968606, BS-13188, SY029740, EN300-11932, Z57980489, F8880-8603

This compound serves as a key intermediate in pharmaceutical synthesis, particularly for fluorinated drug candidates targeting CNS disorders. Researchers utilize its reactive chloroethyl moiety for nucleophilic substitutions in medicinal chemistry workflows. The fluorine substitution pattern enables exploration of bioisosteric effects in lead optimization. Also employed in materials science for creating fluorinated polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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