4-Amino-1,2,4-triazole

Base Information

• Chemical Name: 4-Amino-1,2,4-triazole
• CAS No.: 584-13-4
• Molecular Formula: C2H4N4
• Molecular Weight: 84.0806
• Hs Code.: 2933 99 80
• European Community (EC) Number: 209-533-5
• NSC Number: 7242,3263
• UNII: O57Y04816H
• DSSTox Substance ID: DTXSID9033058
• Nikkaji Number: J36.631E
• Wikidata: Q27285357
• ChEMBL ID: CHEMBL1868166
• Mol file: 584-13-4.mol

Synonyms:4-amino-1,2,4-triazole

Chemical Property of 4-Amino-1,2,4-triazole

Chemical Property:

• Appearance/Colour: white to off-white or beige crystalline powder
• Melting Point: 84-86 °C(lit.)
• Refractive Index: 1.7390 (estimate)
• Boiling Point: 267.649 °C at 760 mmHg
• PKA: 3.20±0.10(Predicted)
• Flash Point: 115.67 °C
• PSA: 56.73000
• Density: 1.599 g/cm³
• LogP: -0.42690
• Storage Temp.: Store below +30°C.
• Solubility.: methanol: 0.1 g/mL, clear
• Water Solubility.: 810 g/L (20 ºC)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.043596145
• Heavy Atom Count: 6
• Complexity: 38.8

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-1- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-42/43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN=CN1N

Technology Process of 4-Amino-1,2,4-triazole

There total 30 articles about 4-Amino-1,2,4-triazole 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: 68.0%

formic acid hydrazide (624-84-0) → 4-amino-1,2,4-triazole (584-13-4)

Guidance literature:

With pyrographite; In ethanol; at 100 ℃;

Reference yield: 51.0%

formic acid (64-18-6) → 4-amino-1,2,4-triazole (584-13-4)

Guidance literature:

With hydrazine hydrate; at 200 ℃; for 5h;

DOI:10.1016/j.molstruc.2007.03.007

Reference yield: 3.0%

1,2,4-Triazole (288-88-0) → 4-amino-1,2,4-triazole (584-13-4) + 1-amino-1,2,4-triazole (24994-60-3)

Guidance literature:

With potassium hydroxide; hydroxylamine-O-sulfonic acid; In water; at 70 ℃; for 1h;

upstream raw materials:

1,2-dihydro-[1,2,4,5]tetrazine

formic acid

1,2-dihydro-[1,2,4,5]tetrazine-3-carboxylic acid

diformylhydrazine

Downstream raw materials:

1-Furfurylidenamino-1,3,4-triazol

benzo[1,3]dioxol-5-ylmethylene-[1,2,4]triazol-4-yl-amine

6-Methyl-s-triazolo<4,3-b>pyridazin

N-p-Tolyl-N'-<1,3,4>triazolyl-thioharnstoff

Refernces

• 1、 Oberhummer. "-". . p. 106,109. Retrieved 1931.
• 2、 -. "Method for synthesizing azaconazole through 4-amino-4H-1,2,4-triazole alkylation". Paragraph 0054. . Retrieved 2018/11/03.
• 3、 Wu, Tao,Gong, Yun,Qin, Jianbo,Wu, Xiaoxia,Cao, Rong. "Syntheses, crystal structures, and photoluminescence properties of three bis-acylamide compounds". scheme or table. p. 438 - 442. Retrieved 2012/05/05.