1H-1,2,3-Triazole-4-carboxamide, 5-chloro-

Base Information

• Chemical Name: 1H-1,2,3-Triazole-4-carboxamide, 5-chloro-
• CAS No.: 85059-19-4
• Molecular Formula: C₃H₃ClN₄O
• Molecular Weight: 146.536
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90234115
• Wikidata: Q83115829
• Mol file: 85059-19-4.mol

Synonyms:5-Chloro-1H-1,2,3-triazole-4-carboxamide;1H-1,2,3-Triazole-4-carboxamide, 5-chloro-;85059-19-4;DTXSID90234115;AKOS006338124;LS-155841;5-CHLORO-2H-1,2,3-TRIAZOLE-4-CARBOXAMIDE

Chemical Property of 1H-1,2,3-Triazole-4-carboxamide, 5-chloro-

Chemical Property:

• Vapor Pressure: 7.04E-08mmHg at 25°C
• Boiling Point: 438.2°C at 760 mmHg
• Flash Point: 218.8°C
• PSA: 85.65000
• Density: 1.726g/cm³
• LogP: 0.44120
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 145.9995384
• Heavy Atom Count: 9
• Complexity: 129

Purity/Quality:

1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE, 5-CHLORO- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NNN=C1Cl)C(=O)N

Technology Process of 1H-1,2,3-Triazole-4-carboxamide, 5-chloro-

There total 7 articles about 1H-1,2,3-Triazole-4-carboxamide, 5-chloro- 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: 95.0%

4-chloro-5-cyano-1,2,3-triazole (88474-32-2) → 4-carbamoyl-5-chloro-1,2,3-triazole (85059-19-4)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; In water; for 48h; Ambient temperature;

DOI:10.1007/BF01184882

Reference yield: 92.0%

5-cyano-4-chloro-1,2,3-triazole (88474-32-2) → 4-chloro-5-carbamoyl-1,2,3-triazole (85059-19-4)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; In water; for 96h; Ambient temperature;

DOI:10.1007/BF00505724

Reference yield: 90.0%

2-cyano-2-diazoacetamide (85059-18-3) → hydrochloride of 2-cyano-2-diazoacetamide + 4-carbamoyl-5-chloro-1,2,3-triazole (85059-19-4)

Guidance literature:

With hydrogenchloride; In chloroform; for 1440h; Ambient temperature;

DOI:10.1007/BF00506405

upstream raw materials:

5-cyano-4-chloro-1,2,3-triazole

ethanol

2-cyano-2-diazoacetamide

4-chloro-6-morpholin-4-yl-pyrimidin-5-ylamine

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