Description

3-Nitro-4-(Hexamethyleneimin-1-Yl)Benzoic Acid is a specialized nitro-substituted benzoic acid derivative featuring a hexamethyleneimine (azepane) ring, making it a valuable intermediate in advanced organic synthesis. Its molecular architecture is engineered to serve as a key building block for the development of complex molecules, particularly in pharmaceutical research and fine chemical manufacturing. This compound is primarily sought by R&D chemists and process development scientists in the life sciences and agrochemical sectors for constructing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders or acting as enzyme inhibitors.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, or plant growth regulators, leveraging its nitro and heterocyclic functionalities.
• Dye and Pigment Chemistry: Serves as an intermediate for creating complex azo dyes or specialty pigments where the nitro and amine groups are key for color development and stability.
• Polymer Science: Can be incorporated as a functional monomer or cross-linking agent to introduce specific chemical properties into advanced polymer systems.
• Ligand and Catalyst Development: The nitrogen-containing heterocycle makes it a candidate for designing novel ligands used in catalytic processes or metal-organic frameworks (MOFs).
• Academic and Industrial Research: Employed in chemical libraries for high-throughput screening and structure-activity relationship (SAR) studies in medicinal chemistry.

Basic Information

Product Name	3-Nitro-4-(Hexamethyleneimin-1-Yl)Benzoic Acid
CAS No.	92109-03-0
Molecular Formula	C₁₃H₁₆N₂O₄
Molecular Weight	264.28 g/mol
Synonyms	4-(azepan-1-yl)-3-nitrobenzoic acid; 3-Nitro-4-(azepan-1-yl)benzoic acid; Benzoic acid, 3-nitro-4-(hexamethyleneimino)-; 4-(Hexamethyleneimino)-3-nitrobenzoic acid; 3-Nitro-4-(1-azepanyl)benzoic acid; 92109-03-0; 4-(azepan-1-yl)-3-nitro-benzoic acid
EINECS	Contact for details

Quality Control

Every batch of 3-Nitro-4-(Hexamethyleneimin-1-Yl)Benzoic Acid is manufactured and tested under a strict quality management system. We provide comprehensive analytical data to ensure the material meets the high-purity standards required for research and process chemistry. A detailed Certificate of Analysis (COA) is supplied with each shipment, confirming identity, purity, and impurity profiles as determined by advanced chromatographic and spectroscopic methods.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	Yellow to light brown 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.