4,7-Phenanthroline

Base Information

• Chemical Name: 4,7-Phenanthroline
• CAS No.: 230-07-9
• Molecular Formula: C12H8N2
• Molecular Weight: 180.209
• Hs Code.: 29339900
• European Community (EC) Number: 625-473-6
• NSC Number: 35680
• UNII: WQM4R8KEX6
• DSSTox Substance ID: DTXSID30177552
• Nikkaji Number: J151.372I
• Wikidata: Q27116822
• Metabolomics Workbench ID: 55356
• ChEMBL ID: CHEMBL81429
• Mol file: 230-07-9.mol

Synonyms:4,7-phenanthroline

Chemical Property of 4,7-Phenanthroline

Chemical Property:

• Vapor Pressure: 3.38E-05mmHg at 25°C
• Melting Point: 172-174 °C(lit.)
• Refractive Index: 1.74
• Boiling Point: 365.1 °C at 760 mmHg
• PKA: 4.30±0.10(Predicted)
• Flash Point: 164.8 °C
• PSA: 25.78000
• Density: 1.25 g/cm³
• LogP: 2.78300
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 1.442g/L(temperature not stated)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.068748264
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

98% ^*data from raw suppliers

4,7-Phenanthroline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41-36/37/38
• Safety Statements: 26-39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC3=C2C=CC=N3)N=C1
• Uses: 4,7-Phenanthroline was used in preparation of:cyclic tetranuclear half-sandwich ruthenium(II) complexespositively charged homochiral cyclic trinuclear metallacalix[3]arene species

Technology Process of 4,7-Phenanthroline

There total 3 articles about 4,7-Phenanthroline 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:

4-nitro-aniline (100-01-6,104810-17-5) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 4,7-phenanthroline (230-07-9) + 6-nitroquinoline (613-50-3)

Guidance literature:

With sulfuric acid; nitrobenzene;

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → quinoline (91-22-5) + 4,7-phenanthroline (230-07-9)

Guidance literature:

With sulfuric acid; nitrobenzene;

DOI:10.1007/BF01516825

Reference yield:

aniline yellow (60-09-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → quinoline (91-22-5) + 4,7-phenanthroline (230-07-9)

Guidance literature:

With sulfuric acid;

upstream raw materials:

4-nitro-aniline

glycerol

aniline yellow