5-(3-Methylphenyl)-4H-1,2,4-triazol-3-amine

Base Information

• Chemical Name: 5-(3-Methylphenyl)-4H-1,2,4-triazol-3-amine
• CAS No.: 59301-24-5
• Molecular Formula: C9H10 N4
• Molecular Weight: 174.20
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80350590
• Wikidata: Q72495446
• Mol file: 59301-24-5.mol

Synonyms:59301-24-5;5-(3-Methylphenyl)-4H-1,2,4-triazol-3-amine;5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(m-Tolyl)-4H-1,2,4-triazol-3-amine;3-(3-methylphenyl)-1H-1,2,4-triazol-5-amine;SCHEMBL5924532;DTXSID80350590;MFCD05182346;STK709354;AKOS000148880;AKOS002675352;AKOS002783608;AT12250;5-m-tolyl-4H-1,2,4-triazol-3-amine;BS-38336;A8344;EU-0017406;FT-0768734;5-(3'-methylphenyl)-3-amino-1,2,4-triazole

Chemical Property of 5-(3-Methylphenyl)-4H-1,2,4-triazol-3-amine

Chemical Property:

• Vapor Pressure: 1.48E-07mmHg at 25°C
• Melting Point: 215 °C (decomp)
• Boiling Point: 428.7°C at 760 mmHg
• PKA: 10.85±0.40(Predicted)
• Flash Point: 242.9°C
• PSA: 67.59000
• Density: 1.261
• LogP: 1.94350
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.090546336
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

5-(3-Methylphenyl)-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: CC1=CC(=CC=C1)C2=NC(=NN2)N

Technology Process of 5-(3-Methylphenyl)-4H-1,2,4-triazol-3-amine

There total 2 articles about 5-(3-Methylphenyl)-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: 83.0%

CYANAMID (420-04-2) + 3-Methylbenzonitrile (620-22-4) → 5-(m-tolyl)-4H-1,2,4-triazol-3-amine (59301-24-5)

Guidance literature:

CYANAMID; With hydroxylamine hydrochloride; triethylamine; In ethanol; at 100 ℃; for 12h; Inert atmosphere; Schlenk technique;

3-Methylbenzonitrile; With iron(III) chloride; potassium carbonate; In ethanol; dimethyl sulfoxide; at 100 ℃; for 12h; Sealed tube; Inert atmosphere; Schlenk technique;

DOI:10.1002/jhet.3450

Reference yield:

→ 5-m-tolyl-1H-[1,2,4]triazol-3-ylamine (59301-24-5)

Guidance literature:

Darst.;

DOI:10.1007/BF00479582

upstream raw materials:

CYANAMID

3-Methylbenzonitrile

Refernces