26621-45-4

Basic information

• Product Name: 1H-1,2,4-Triazole,1-methyl-3-nitro-(8CI,9CI)
• Synonyms: 1H-1,2,4-Triazole,1-methyl-3-nitro-(8CI,9CI);1-methyl-3-nitro-1,2,4-triazole
• CAS NO: 26621-45-4
• Molecular Formula: C₃H₄N₄O₂
• Molecular Weight: 128.0895
• Product Categories: NITRO
• Mol File: 26621-45-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 337.8°Cat760mmHg
• Flash Point: 158.1°C
• Appearance: /
• Density: 1.66g/cm³
• Vapor Pressure: 0.000103mmHg at 25°C
• Refractive Index: 1.69
• CAS DataBase Reference: 1H-1,2,4-Triazole,1-methyl-3-nitro-(8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,4-Triazole,1-methyl-3-nitro-(8CI,9CI)(26621-45-4)
• EPA Substance Registry System: 1H-1,2,4-Triazole,1-methyl-3-nitro-(8CI,9CI)(26621-45-4)

Safety Data

• Hazardous Substances Data: 26621-45-4(Hazardous Substances Data)

Usage

Chemical classification

1H-1,2,4-Triazole derivative and nitro compound

Common uses

Synthesis of pharmaceuticals
Synthesis of agrochemicals
Synthesis of other organic compounds

Biological activities

Antimicrobial
Antifungal
Antiviral

Additional studies

Potential as a corrosion inhibitor
Building block in organic synthesis

Safety precautions

Harmful if ingested, inhaled, or absorbed through the skin
May cause irritation to the respiratory system and eyes

InChI:InChI=1/C3H4N4O2/c1-6-2-4-3(5-6)7(8)9/h2H,1H3

Upstream product

• 24807-55-4 3-nitro-1,2,4-triazole 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 
• 133157-99-0 1-Chloro-3-nitro-1,2,4-triazole 
• 50738-31-3 3-nitro-1,2,4-triazole sodium salt 

Downstream Products

• 24807-55-4 3-nitro-1,2,4-triazole 
• 49607-51-4 3-amino-1-methyl-1H-1,2,4-triazole 

Relevant articles and documents

Reaction of 3-nitro-1,2,4-triazole derivatives with alkylating agents. 1. Alkylation in the presence of alkali

Alkylation of 3-nitro-1,2,4-triazole and 5-methyl-3-nitro-1,2,4-triazole with dialkyl sulfates or alkyl halides in the presence of alkali proceeds with a low selectivity for the alkylating agent with the formation of two regioisomers at the N(1) and N(2) atoms of the heterocycle. Depending on the reaction conditions the proportion of the N(2) isomer was 14.6-33.8%. 2005 Springer Science+Business Media, Inc.

Deacetylcolchicine deriv.

Provided are 4-modified colchicine compounds and medicines using the same. Specifically provided are colchicine derivatives represented by general formula (1), salts thereof, and solvates of the same. In general formula (1), R1 is a halogen atom, a hydroxyl group, a nitro group, an amino group, or a mono-, di- or tri-fluoromethyl group; R2, R3 and R4 are each a methoxy group or a hydroxyl group, or alternatively R2 and R3, or R3 and R4 together represent a methylenedioxy group; R5 and R6 may be the same or different and are each a hydrogen atom, a C1-6 alkyl group, an arylalkyl group, a C2-6 alkenyl group, -COR7, -COOR8, -SO2R9, -CONR10R11, or -CSNR12R13, or alternatively R5 and R6 together with the nitrogen atom to which R5 and R6 are bonded may form a three- to seven-membered cyclic amino group; R7 is a C1-6 alkyl group or the like; R8 is a C1-6 alkyl group or the like; R9 is a C1-6 alkyl group or the like; R10 and R11 may be the same or different and are each a hydrogen atom, a C1-6 alkyl group, or the like; and R12 and R13 may be the same or different and are each a hydrogen atom, an alkyl group, or the like.

OXIDATIVE ALKYLATION OF AZOLES. I. REACTION OF N-CHLORO-3-NITRO-TRIAZOLES WITH METHYL IODIDE

The reaction of methyl iodide with N-chloro-3-nitro-, and N-chloro-5-methyl-3-nitro-1,2,4-triazoles leads to the release of iodine and the formation of a mixture of compounds containing 3-nitro-1,2,4-triazoles unsubstituted at the nitrogen, the N-mono- and N,N-dimethylated derivatives (triazolium salts), and the products from their further transformations (1,4-dimethyl-5-triazolones).