2,9-Dibromo-1,10-phenanthroline

Base Information

• Chemical Name: 2,9-Dibromo-1,10-phenanthroline
• CAS No.: 39069-02-8
• Molecular Formula: C12H6Br2N2
• Molecular Weight: 338.001
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00572878
• Nikkaji Number: J2.722.310I
• Wikidata: Q72464780
• Mol file: 39069-02-8.mol

Synonyms:2,9-DIBROMO-1,10-PHENANTHROLINE;39069-02-8;29-dibromo-1,10-phenanthroline;MFCD16038623;1,10-Phenanthroline, 2,9-dibromo-;2,9-dibromophenathroline;SCHEMBL57528;DTXSID00572878;QNLGXYVSHITTGT-UHFFFAOYSA-N;AKOS015899694;CS-W004597;AC-24456;DS-15731;SY100675;2 pound not9-dibromo-1,10-phenanthroline;A846133

Chemical Property of 2,9-Dibromo-1,10-phenanthroline

Chemical Property:

• Boiling Point: 460.244 °C at 760 mmHg
• PKA: 2.46±0.30(Predicted)
• Flash Point: 232.147 °C
• PSA: 25.78000
• Density: 1.915 g/cm³
• LogP: 4.30800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 337.88772
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

2,9-Dibromo-1,10-phenanthroline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C3=C1C=CC(=N3)Br)N=C(C=C2)Br

Technology Process of 2,9-Dibromo-1,10-phenanthroline

There total 11 articles about 2,9-Dibromo-1,10-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: 88.0%

3,6,7,9-tetrahydro-5H-<1,4>diazepino<1,2,3,4-lmn><1,10>phenanthroline-3,9-dione (39588-59-5) → 2,9-dibromo-1,10-phenanthroline (39069-02-8)

Guidance literature:

With phosphorus tribromide; phosphorus(V) oxybromide; at 192 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejic.202100290

Reference yield: 81.1%

2,9-dichloro-[1,10]phenanthroline (29176-55-4) → 2,9-dibromo-1,10-phenanthroline (39069-02-8)

Guidance literature:

2,9-dichloro-[1,10]phenanthroline; With phosphorus tribromide; at 165 ℃; for 7h; Inert atmosphere; Neat (no solvent);

With sodium hydrogencarbonate; In water;

Reference yield: 81.0%

9-bromo-1-methyl-1H-[1,10]phenanthrolin-2-one (39069-01-7) → 2,9-dibromo-1,10-phenanthroline (39069-02-8)

Guidance literature:

9-bromo-1-methyl-1H-[1,10]phenanthrolin-2-one; With phosphorus pentabromide; phosphorus(V) oxybromide; at 75 ℃; Inert atmosphere; cooling with ice;

With ammonia; In water; Alkaline conditions;

upstream raw materials:

2,9-dichloro-[1,10]phenanthroline

3,6,7,9-tetrahydro-5H-<1,4>diazepino<1,2,3,4-lmn><1,10>phenanthroline-3,9-dione

1,10-Phenanthroline

1-methyl-1,10-phenanthrolinium iodide

Downstream raw materials:

2,9-dibromo-4a,6a-dihydro-1,10-phenanthroline-5,6-dione

1,10-phenanthroline-2,9-dicarboxylic acid

2,9‐bis(4-formylphenyl)‐1,10‐phenanthroline

2-bromo-9-phenyl-1,10-phenanthroline