3-Bromo-1,10-phenanthroline

Basic Information

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CAS Number

66127-01-3

Molecular Formula

C12H7BrN2

Molecular Weight

259.11 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

Melting Point

171.0 to 175.0 deg-C

Boiling Point

397.8℃ at 760 mmHg

Density

1.616

Flash Point

194.4°C

Refractive Index

1.757

SMILES

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C1=CC2=C(C3=NC=C(C=C3C=C2)Br)N=C1

InChI

InChI=1S/C12H7BrN2/c13-10-6-9-4-3-8-2-1-5-14-11(8)12(9)15-7-10/h1-7H

InChIKey

OADZHFGJIVKDJN-UHFFFAOYSA-N

LogP

3.5455000000000005

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

234

Synonyms & References

English

AKOS015899825
B2632
DTXSID20447074
A21232
66127-01-3
MFCD08276287
C76078
YSSJ1673
3-bromo-1,10-phenanthroline
3-bromo-phenanthroline
AC-24455
OADZHFGJIVKDJN-UHFFFAOYSA-N
FT-0646449
CS-W004585
DS-16938
SY033984
SCHEMBL913400
3-Bromo-1,10-phenanthroline
3-Bromophenanthroline
1,10-Phenanthroline,2-bromo-
5815AJ
VZ23845
AX8084847
127B013

MDL Number

MFCD08276287

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Bromo-1,10-phenanthroline (CAS: 66127-01-3)?

3-Bromo-1,10-phenanthroline is a dark brown solid with a crystalline form. Its molecular weight is approximately 265.02 g/mol. It is slightly soluble in water and has low solubility in common organic solvents. The compound is known for its electrochemical and spectroscopic reactivity, making it useful in coordination chemistry and analytical applications.

How is 3-Bromo-1,10-phenanthroline (CAS: 66127-01-3) typically synthesized?

3-Bromo-1,10-phenanthroline is typically synthesized through the bromination of 1,10-phenanthroline using bromine in the presence of a base such as potassium hydroxide. The reaction is carried out in an aqueous or organic solvent, yielding the brominated product with good selectivity and moderate to high yield.

What industries use 3-Bromo-1,10-phenanthroline (CAS: 66127-01-3)?

3-Bromo-1,10-phenanthroline is used in various industries, including pharmaceuticals for its antioxidant properties, in sensor technology for selective metal ion detection, and in semiconductor applications for its electronic properties. It also finds use in polymer chemistry as a stabilizer and in analytical chemistry for complexometric titrations.

What precautions should be taken when handling 3-Bromo-1,10-phenanthroline (CAS: 66127-01-3)?

When handling 3-Bromo-1,10-phenanthroline, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be stored in a fume hood to minimize exposure. Spills should be managed carefully using a spill kit, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.