499770-67-1

Basic information

• Product Name: 1-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBALDEHYDE
• Synonyms: 1-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBALDEHYDE;1-methyl-1H-benzo[d][1,2,3]triazole-5-carbaldehyde;1-Methyl-1H-benzotriazole-5-carboxaldehyde;1-Methylbenzotriazole-5-carboxaldehyde
• CAS NO: 499770-67-1
• Molecular Formula: C₈H₇N₃O
• Molecular Weight: 161.16
• Mol File: 499770-67-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 162 °C
• Boiling Point: 354.124 °C at 760 mmHg
• Flash Point: 167.968 °C
• Appearance: /
• Density: 1.333 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.668
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 0.15±0.30(Predicted)
• CAS DataBase Reference: 1-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBALDEHYDE(499770-67-1)
• EPA Substance Registry System: 1-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBALDEHYDE(499770-67-1)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39-39
• Hazardous Substances Data: 499770-67-1(Hazardous Substances Data)

Usage

General Description

1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde is a chemical compound with the molecular formula C9H8N3O. It is commonly used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. This chemical has the potential to act as a reagent in the synthesis of heterocyclic compounds and is also employed as a corrosion inhibitor in various industrial applications. Additionally, 1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde has been studied for its potential as an anti-cancer agent, with research suggesting that it may have inhibitory effects on cancer cell growth. Overall, this chemical compound has a range of potential applications in the fields of pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C8H7N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-5H,1H3

Upstream product

• 1426673-14-4 4-formyl-2-iodo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl 2,4,5-trichlorobenzenesulfonate 
• 1245635-28-2 [2-hydroxy-3-iodo-5-(methoxycarbonyl)phenyl]boronic acid 
• 1245635-27-1 [3-iodo-5-(methoxycarbonyl)-2-(methoxymethoxy)phenyl]boronic acid 
• 1245635-26-0 methyl 3,5-diiodo-4-(methoxymethoxy)benzoate 
• 3337-66-4 methyl 4-hydroxy-3,5-diiodobenzoate 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 1245635-29-3 methyl 4-hydroxy-3-iodo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
• 1426673-13-3 methyl 3-iodo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(((2,4,5-trichlorophenyl)sulfonyl)oxy)benzoate 
• 1426673-12-2 5-(1,3-dioxolan-2-yl)-1-methyl-1H-benzo[d]triazole 
• 1426579-79-4 4-(1,3-dioxolan-2-yl)-2-iodo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl 2,4,5-trichlorobenzenesulfonate 
• 1426579-74-9 5-(1,3-dioxolan-2-yl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((trimethylsilyl)methyl)-1H-benzo[d]triazole 

Downstream Products

• 1426579-60-3 5-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl)-1-methyl-1H-benzo[d]triazole 
• 120322-04-5 (4-chlorophenyl)(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanol 

Relevant articles and documents

Regiocomplementary cycloaddition reactions of boryl- and silylbenzynes with 1,3-dipoles: Selective synthesis of benzo-fused azole derivatives

Benzo-fused nitrogen-containing heterocycles are abundant in biologically active compounds. One of the most important methods for preparing such heterocycles is the (3 + 2) cycloaddition reaction of benzynes with 1,3-dipolar compounds. However, the reacti