Description

4-[[6-(3-Chloro-1-oxopropoxy)hexyl]oxy]benzoic acid (CAS No. 182922-18-5) is a high-purity synthetic organic compound with the molecular formula C₁₆H₂₁ClO₅. This benzoic acid derivative features a chloro-substituted propoxyhexyl chain, making it a valuable intermediate for advanced chemical synthesis and material science research. With an IUPAC name of 4-[6-(3-chloropropanoyloxy)hexoxy]benzoic acid, this compound is characterized by its precise structural configuration, ensuring consistent performance in specialized applications. Each batch undergoes rigorous QC testing, including HPLC and NMR analysis, to guarantee ≥95% purity. Ideal for researchers in medicinal chemistry, polymer science, and liquid crystal development, this compound is supplied in sealed amber vials to ensure stability and longevity.

Properties

• CAS Number: 182922-18-5
• Complexity: 326
• IUPAC Name: 4-[6-(3-chloropropanoyloxy)hexoxy]benzoic acid
• InChI: InChI=1S/C16H21ClO5/c17-10-9-15(18)22-12-4-2-1-3-11-21-14-7-5-13(6-8-14)16(19)20/h5-8H,1-4,9-12H2,(H,19,20)
• InChI Key: YZNWEIUTUQFLLH-UHFFFAOYSA-N
• Exact Mass: 328.1077515
• Molecular Formula: C16H21ClO5
• Molecular Weight: 328.79
• SMILES: C1=CC(=CC=C1C(=O)O)OCCCCCCOC(=O)CCCl
• Topological: 72.8
• Monoisotopic Mass: 328.1077515
• Synonyms: 4-[[6-(3-Chloro-1-oxopropoxy)hexyl]oxy]benzoic acid, 4-((6-(3-Chloro-1-oxopropoxy)hexyl)oxy)benzoic acid, 182922-18-5, 4-((6-((3-Chloropropanoyl)oxy)hexyl)oxy)benzoic acid, Benzoic acid, 4-[[6-(3-chloro-1-oxopropoxy)hexyl]oxy]-, 4-[6-(3-chloropropanoyloxy)hexoxy]benzoic acid, 4-({6-[(3-CHLOROPROPANOYL)OXY]HEXYL}OXY)BENZOIC ACID, C16H21ClO5, SCHEMBL1667037, YZNWEIUTUQFLLH-UHFFFAOYSA-N, DTXSID701223888, AKOS022185689, AS-69535, CS-0158362, 4-(6-(3-Chloropropanoyloxy)hexyloxy) benzoic acid, 4-((6-((3-Chloropropanoyl)oxy)hexyl)oxy)benzoicacid, 4-[6-(3-Chloro-propionyloxy)-hexyloxy]-benzoic acid

Application

4-[[6-(3-Chloro-1-oxopropoxy)hexyl]oxy]benzoic acid is primarily used as a key intermediate in the synthesis of liquid crystals and advanced polymer materials. Its reactive chloro and carboxyl groups enable versatile functionalization for designing mesogenic compounds in display technologies. Researchers also employ it in pharmaceutical development for prodrug synthesis due to its ester-linked hydrolyzable moiety. The compound’s unique structure supports studies in self-assembling molecular systems and supramolecular chemistry.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

If you are interested or have any questions, please contact us at support@atomfair.com

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