Description

Benzoic Acid, 2-(1-Hexyn-1-Yl)- is a specialized aromatic alkyne derivative that serves as a valuable synthetic intermediate. This compound is significant for its role in constructing complex molecular architectures, particularly in advanced organic synthesis and materials science. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for applications such as cross-coupling reactions and the development of novel functional materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs) and novel drug candidates.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides, herbicides, and plant growth regulators.
• Material Science Research: Serves as a monomer or precursor in the development of specialty polymers, liquid crystals, and organic electronic materials.
• Organic Synthesis Reagent: Employed in Sonogashira, Heck, and other palladium-catalyzed cross-coupling reactions to introduce alkyne-functionalized aromatic units.
• Chemical Research: Utilized in academic and industrial laboratories for methodology development and the exploration of new chemical spaces.
• Flavor & Fragrance Precursor: Acts as a starting material for the synthesis of complex aromatic compounds used in specialty fragrance formulations.

Basic Information

Product Name	Benzoic Acid, 2-(1-Hexyn-1-Yl)-
CAS No.	120870-47-5
Molecular Formula	C13H14O2
Molecular Weight	202.25 g/mol
Synonyms	2-(1-Hexyn-1-yl)benzoic Acid; 2-(Hex-1-yn-1-yl)benzoic Acid; o-(1-Hexynyl)benzoic Acid; 2-(Hex-1-ynyl)benzoic Acid; Benzoic acid, o-(1-hexynyl)-; 1-Hexyn-1-ylbenzoic-2-acid
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 2-(1-Hexyn-1-Yl)- is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and process chemistry. Certificates of Analysis (COA) detailing batch-specific results are provided with every shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from strong oxidizing agents, strong bases, and heat sources.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.