1,7-Phenanthroline

Base Information

• Chemical Name: 1,7-Phenanthroline
• CAS No.: 230-46-6
• Molecular Formula: C12H8N2
• Molecular Weight: 180.209
• Hs Code.: 29339980
• European Community (EC) Number: 625-267-6
• NSC Number: 35679
• UNII: 5Y778HQU2S
• DSSTox Substance ID: DTXSID50870492
• Nikkaji Number: J151.373G
• Wikidata: Q27116821
• Metabolomics Workbench ID: 55355
• ChEMBL ID: CHEMBL1529707
• Mol file: 230-46-6.mol

Synonyms:1,7-phenanthroline

Chemical Property of 1,7-Phenanthroline

Chemical Property:

• Vapor Pressure: 3.38E-05mmHg at 25°C
• Melting Point: 79-81 °C(lit.)
• Refractive Index: 1.74
• Boiling Point: 365.1 °C at 760 mmHg
• PKA: pK1:4.30(+1) (25°C)
• 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.: It is soluble in water, ethanol, ether and benzene.
• XLogP3: 2.5
• 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:

1,7-phenanthroline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N,T
• Statements: 22-41-50/53-25
• Safety Statements: 26-36/39-61-60-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C(C3=C(C=C2)N=CC=C3)N=C1
• Uses: 1,7-Phenanthroline acts as an inhibitor of germination and growth of plants. it can be used to produce [1,7]phenanthroline-8-carbonitrile with hydrocyanic acid; potassium salt at temperature. It is also used as an intermediate and chemical research.

Technology Process of 1,7-Phenanthroline

There total 13 articles about 1,7-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: 85.0%

2,8-bis(methylthio)pyrido[2,3-h]quinoline → 1,7-phenanthroline (230-46-6)

Guidance literature:

With nickel; In ethanol; Heating;

DOI:10.1055/s-2004-815400

Reference yield: 56.0%

7-ethoxycarbonyl-7,8-dihydro-1,7-phenanthroline-8-carbonitrile (76795-62-5) → 1,7-phenanthroline (230-46-6)

Guidance literature:

With hydrogen bromide; In acetic acid; for 3h; Heating;

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + 3-nitro-aniline (99-09-2) → 1,7-phenanthroline (230-46-6)

Guidance literature:

With sulfuric acid; In water; at 36 - 200 ℃; for 0.25h; Sealed tube; Microwave irradiation; Green chemistry;

DOI:10.1039/c4ra00758a

upstream raw materials:

5-Aminoquinoline

glycerol

m-phenylenediamine

7-ethoxycarbonyl-7,8-dihydro-1,7-phenanthroline-8-carbonitrile

Downstream raw materials:

Pyridine-2,3-dicarboxylic acid

7-benzoyl-8-cyano-10-methyl-7,10-dihydro-1,7-phenanthroline

Refernces

• 1、 Saggadi, Hanen,Luart, Denis,Thiebault, Nicolas,Polaert, Isabelle,Estel, Lionel,Len. "Quinoline and phenanthroline preparation starting from glycerol via improved microwave-assisted modified Skraup reaction". . p. 21456 - 21464. Retrieved 2014/06/10.
• 2、 -. "Photodynamic herbicides". . . Retrieved 2008/06/13.