1,9-Phenanthroline

Base Information

• Chemical Name: 1,9-Phenanthroline
• CAS No.: 230-45-5
• Molecular Formula: C12H8 N2
• Molecular Weight: 180.21
• DSSTox Substance ID: DTXSID80392450
• Nikkaji Number: J2.208.617K
• Wikidata: Q82190697
• Mol file: 230-45-5.mol

Synonyms:1,9-phenanthroline;230-45-5;3,5-diazaphenanthrene;SCHEMBL1419171;AJCSVUVYIMRJCB-UHFFFAOYSA-;DTXSID80392450;InChI=1/C12H8N2/c1-2-10-4-3-9-5-7-13-8-11(9)12(10)14-6-1/h1-8H

Chemical Property of 1,9-Phenanthroline

Chemical Property:

• Boiling Point: 381.7±15.0 °C(Predicted)
• PSA: 25.78000
• Density: 1.250±0.06 g/cm3(Predicted)
• LogP: 2.78300
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.068748264
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C3=C(C=C2)C=CN=C3)N=C1