4-Methyl-4h-1,2,4-triazol-3-amine

Base Information

• Chemical Name: 4-Methyl-4h-1,2,4-triazol-3-amine
• CAS No.: 16681-76-8
• Molecular Formula: C3H6 N4
• Molecular Weight: 98.1074
• Hs Code.: 2933990090
• NSC Number: 153383
• DSSTox Substance ID: DTXSID10302769
• Nikkaji Number: J140.939E
• Wikidata: Q82047732
• Mol file: 16681-76-8.mol

Synonyms:4-methyl-4h-1,2,4-triazol-3-amine;16681-76-8;4-methyl-1,2,4-triazol-3-amine;3-Amino-4-methyl-4H-1,2,4-triazole;4H-1,2,4-Triazol-3-amine, 4-methyl-;4H-1,2,4-Triazole, 3-amino-4-methyl-;NSC153383;3-amino-4-methyl-sym-triazole;UQUDZKOREXYFDJ-UHFFFAOYSA-;DTXSID10302769;AMY28896;MFCD02666159;STL227867;AKOS000268382;NSC 153383;NSC-153383;4H-1,4-Triazol-3-amine, 4-methyl-;4H-1,4-Triazole, 3-amino-4-methyl-;4-Methyl-4H-1,2,4-triazol-3-ylamine;4-Methyl-4H-1,2,4-triazol-3-ylamine #;BB 0262876;CS-0116665;EN300-151542;O11264;F1371-0340

Chemical Property of 4-Methyl-4h-1,2,4-triazol-3-amine

Chemical Property:

• Vapor Pressure: 0.00347mmHg at 25°C
• Boiling Point: 281.9°Cat760mmHg
• Flash Point: 124.3°C
• PSA: 56.73000
• Density: 1.44g/cm³
• LogP: -0.02150
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.059246208
• Heavy Atom Count: 7
• Complexity: 64

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-methyl-4H-1,2,4-triazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NN=C1N

Technology Process of 4-Methyl-4h-1,2,4-triazol-3-amine

There total 3 articles about 4-Methyl-4h-1,2,4-triazol-3-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 23.0%

2,3-dihydro-4-methyl-5-amino-1H-1,2,4-triazole-3-thione (66870-09-5) → 4-methyl-4H-1,2,4-triazol-3-amine (16681-76-8)

Guidance literature:

With dihydrogen peroxide; acetic acid; In dichloromethane; at 0 - 25 ℃; for 4h;

Reference yield: 20.0%

4-Methyl-4H-[1,2,4]triazol-3-ylamine; hydrochloride (1461658-32-1) → 4-methyl-4H-1,2,4-triazol-3-amine (16681-76-8)

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 0 ℃; for 2h;

Reference yield:

→ 4-methyl-4H-1,2,4-triazol-3-amine (16681-76-8)

Guidance literature:

Aus 1, CH3I, Aethanol; Δ;

upstream raw materials:

4-Methyl-4H-[1,2,4]triazol-3-ylamine; hydrochloride

2,3-dihydro-4-methyl-5-amino-1H-1,2,4-triazole-3-thione

Downstream raw materials:

Sodium methoxide

Refernces

• 1、 -. "SUBSTITUTED N-(1,2,4-TRIAZOL-3-YL)ARYLCARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES". Page/Page column 145; 146. . Retrieved 2015/02/02.