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1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde is a versatile chemical compound with the molecular formula C9H8N3O. It is characterized by its potential as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. 1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde also exhibits properties that make it a promising reagent for the synthesis of heterocyclic compounds and a corrosion inhibitor in various industrial applications. Furthermore, it has been studied for its potential as an anti-cancer agent, with research indicating its inhibitory effects on cancer cell growth. Its multifaceted applications make it a valuable compound in the fields of pharmaceuticals, agrochemicals, and materials science.

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  • 499770-67-1 Structure
  • Basic information

    1. Product Name: 1-METHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBALDEHYDE
    2. 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
    3. CAS NO:499770-67-1
    4. Molecular Formula: C8H7N3O
    5. Molecular Weight: 161.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 499770-67-1.mol
  • Chemical Properties

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

    1. Hazard Codes: Xn
    2. Statements: 36/37/38-41-37/38-22
    3. Safety Statements: 26-36/37/39-39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 499770-67-1(Hazardous Substances Data)

499770-67-1 Usage

Uses

Used in Pharmaceutical Industry:
1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde is used as an intermediate in the synthesis of various pharmaceuticals for its ability to facilitate the creation of complex organic molecules that can be used in the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, 1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde is used as an intermediate in the synthesis of agrochemicals, contributing to the development of new compounds for crop protection and enhancement of agricultural productivity.
Used in Materials Science:
1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde is used as a reagent in the synthesis of heterocyclic compounds, which are important in materials science for their diverse applications, including the creation of new materials with unique properties.
Used as a Corrosion Inhibitor:
In various industrial applications, 1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde is used as a corrosion inhibitor to protect materials from degradation, extending their lifespan and improving their performance in harsh environments.
Used in Anti-Cancer Research:
1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde is studied for its potential as an anti-cancer agent, with research suggesting that it may have inhibitory effects on cancer cell growth, offering a promising avenue for the development of new cancer treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 499770-67-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,9,9,7,7 and 0 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 499770-67:
(8*4)+(7*9)+(6*9)+(5*7)+(4*7)+(3*0)+(2*6)+(1*7)=231
231 % 10 = 1
So 499770-67-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H7N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-5H,1H3

499770-67-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Methyl-1H-benzo[d][1,2,3]triazole-5-carbaldehyde

1.2 Other means of identification

Product number -
Other names 1-methylbenzotriazole-5-carbaldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:499770-67-1 SDS

499770-67-1Relevant articles and documents

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

Ikawa, Takashi,Takagi, Akira,Goto, Masahiko,Aoyama, Yuya,Ishikawa, Yoshinobu,Itoh, Yuji,Fujii, Satoshi,Tokiwa, Hiroaki,Akai, Shuji

, p. 2965 - 2983 (2013/06/26)

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

AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES

-

Page 64-65, (2008/06/13)

The present invention is related to azolidinedione-vinyl fused-benzene derivatives of formula (I) for the treatment and/or prophylaxis of autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, graft rejection or lung injuries. Formula (I), wherein A, X, Y, Z, R1 , R2 and n are as described in the description.

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