Description

1-(Isocyanomethyl)-1H-Benzotriazole is a versatile heterocyclic building block and reagent of significant interest in advanced organic synthesis. Its unique bifunctional structure, containing both a reactive isocyanate group and a benzotriazole moiety, makes it a valuable precursor for constructing complex molecular architectures. This compound is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and specialty chemical industries for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the synthesis of novel drug candidates, particularly those requiring benzotriazole or urea/thiourea linkages.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its reactivity to create diverse heterocyclic systems.
• Polymer Chemistry: Acts as a monomer or cross-linking agent in the production of specialty polymers, polyurethanes, and resins with tailored properties.
• Chemical Biology & Proteomics: Employed as an affinity label or probe in biochemical research due to its ability to react selectively with amino groups.
• Material Science: Utilized in the surface modification of materials and the creation of advanced coatings and adhesives.
• Organic Synthesis Reagent: Functions as a versatile reagent for introducing the isocyanomethyl group or for facilitating various cyclization and coupling reactions.

Basic Information

Product Name	1-(Isocyanomethyl)-1H-Benzotriazole
CAS No.	87022-42-2
Molecular Formula	C8H6N4O
Molecular Weight	174.16 g/mol
Synonyms	1H-Benzotriazole-1-methanamine, N-(oxomethylene)-; 1-(Isocyanatomethyl)-1H-benzotriazole; Benzotriazol-1-ylmethyl isocyanate; 1H-Benzotriazole, 1-(isocyanatomethyl)-; 1-(Isocyanatomethyl)benzotriazole; BTMA-NCO; 1-Isocyanatomethyl-1H-benzotriazole
EINECS	Contact for details

Quality Control

Our 1-(Isocyanomethyl)-1H-Benzotriazole is manufactured under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and FTIR, to ensure high purity and consistent performance. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This material is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Heavy Metals	≤ 10 ppm

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