2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene

Base Information

• Chemical Name: 2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene
• CAS No.: 578006-80-1
• Molecular Formula: C6H6N2
• Molecular Weight: 106.13
• DSSTox Substance ID: DTXSID60591080
• Wikidata: Q82484735
• Mol file: 578006-80-1.mol

Synonyms:2,8-DIAZABICYCLO[4.2.0]OCTA-1,3,5-TRIENE;578006-80-1;SCHEMBL2400223;DTXSID60591080

Chemical Property of 2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene

Chemical Property:

• Boiling Point: 261.5±19.0 °C(Predicted)
• PKA: 7.04±0.20(Predicted)
• PSA: 24.92000
• Density: 1.178±0.06 g/cm3(Predicted)
• LogP: 1.14510
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 106.053098200
• Heavy Atom Count: 8
• Complexity: 92.5

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(N1)N=CC=C2