2,9-Dibromo-1,10-phenanthroline

Basic Information

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CAS Number

39069-02-8

Molecular Formula

C12H6Br2N2

Molecular Weight

338 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC2=C(C3=C1C=CC(=N3)Br)N=C(C=C2)Br

InChI

InChI=1S/C12H6Br2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H

InChIKey

QNLGXYVSHITTGT-UHFFFAOYSA-N

LogP

4.308000000000002

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

235

Synonyms & References

English

2,9-Dibromo-1,10-phenanthroline
2-9-Dibromo-1-10-Phenanthroline
2,9-Dibromophenanthroline
2_9-dibromo-1,10-phenanthroline
1,10-Phenanthroline, 2,9-dibromo-
2,9-dibromophenathroline
QNLGXYVSHITTGT-UHFFFAOYSA-N
5082AB
AX8218337
ST24038903
069D028
(1S,2R)-2-([(TERT-BUTOXY)CARBONYL]AMINO)CYCLOBUTANE-1-CARBOXYLIC
29-dibromo-1,10-phenanthroline
2,9-DIBROMO-1,10-PHENANTHROLINE
MFCD16038623
DS-15731
DTXSID00572878
CS-W004597
AKOS015899694
AC-24456
39069-02-8
DB-050445
A10577
SCHEMBL57528
SY100675

MDL Number

MFCD16038623

FAQ

What are the physical and chemical properties of 2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8)?

2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8) is a dark red crystalline solid with a molecular weight of approximately 409.04 g/mol. It has a low solubility in water (0.5 g/L at 25°C) but is soluble in organic solvents like methanol and ethanol. Chemically, it is highly reactive towards nucleophilic substitution reactions and exhibits strong coordination properties with transition metals. It forms stable complexes with many metal ions, making it useful in spectroscopic and analytical applications.

How is 2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8) typically synthesized?

2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8) is typically synthesized through the bromination of 1,10-phenanthroline with bromine in the presence of a base such as sodium hydroxide. The reaction involves the electrophilic aromatic substitution of 1,10-phenanthroline by bromine at the ortho and para positions to give the dibrominated product. This process yields a high-quality product with good selectivity and reproducibility.

What industries use 2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8)?

2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8) is primarily used in the pharmaceutical, analytical chemistry, and environmental monitoring industries. It serves as a ligand in the coordination chemistry of metal ions, which is crucial for developing new drugs, sensors, and reagents. Additionally, it is used in the development of various analytical techniques, such as spectroscopy and chromatography, for the detection and quantification of metal ions.

What precautions should be taken when handling 2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8)?

When handling 2,9-Dibromo-1,10-phenanthroline (CAS: 39069-02-8), it is important to use appropriate personal protective equipment (PPE), such as gloves and safety goggles, due to its potential to irritate the eyes and skin. It should be handled in a well-ventilated area or a fume hood to avoid inhalation of the vapors. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.