5-Nitro-3H-1,2,4-triazol-3-one

Base Information

• Chemical Name: 5-Nitro-3H-1,2,4-triazol-3-one
• CAS No.: 4219-06-1
• Molecular Formula: C2N4O3
• Molecular Weight: 128.04600
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90436379
• Nikkaji Number: J315.610I
• Wikidata: Q82251649
• Mol file: 4219-06-1.mol

Synonyms:5-Nitro-3H-1,2,4-triazol-3-one;4219-06-1;5-nitro-1;SCHEMBL332553;DTXSID90436379;3-Nitro-5H-1,2,4-triazol-5-one

Chemical Property of 5-Nitro-3H-1,2,4-triazol-3-one

Chemical Property:

• PSA: 99.97000
• LogP: -0.96510
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.99703987
• Heavy Atom Count: 9
• Complexity: 223

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC(=O)N=N1)[N+](=O)[O-]