4'-(4-Bromophenyl)-2,2':6',2''-terpyridine

Basic Information

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CAS Number

89972-76-9

Molecular Formula

C21H14BrN3

Molecular Weight

388.27 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

160.0 to 164.0 deg-C

Boiling Point

512.671 ℃ at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

263.9±28.7 °C

Refractive Index

1.646

SMILES

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C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H

InChIKey

BOPPHKMZOYPASP-UHFFFAOYSA-N

LogP

5.635100000000004

Topological Polar Surface Area

38.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

384

Safety Information

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GHS Hazard Pictograms

H315

H319

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Sensitive to air

Synonyms & References

English

4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
4'-(4-Bromophenyl)-2,6':2',2''-terpyridine
2,2':6',2''-Terpyridine,4'-(4-bromophenyl)-
4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine
4'-(4-Bromophenyl)-α,α',α''-tripyridyl
4'-(4-Bromophenyl)-alpha,alpha',alpha''-tripyridyl
4'-(4-Bromophenyl)-2,2':6',2'-terpyridine
4-(4'-Bromophenyl)-2,6-di(2-pyridyl)pyridine
EOS240
4942AC
VP15063
SY055595
AX8238142
B3218
4-
4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine (ACI)
4-(4-Bromophenyl)-2,2′:6,2′′-terpyridine
4′-(4-Bromphenyl)-2,2′:6′,2′′-terpyridine
4′-p-Bromophenyl-2,2′:6′,2′′-terpyridine
89972-76-9
MFCD06796984
doi:10.14272/BOPPHKMZOYPASP-UHFFFAOYSA-N.1
DTXSID20444563
2,2':6',2''-Terpyridine, 4'-(4-bromophenyl)-
4-(4-Bromophenyl)-Alpha,Alpha,Alpha-Tripyridyl
DB-050440
YSWG791
SCHEMBL3596420
AC-8877
4-(4-BROMOPHENYL)-6-(PYRIDIN-2-YL)-2,2'-BIPYRIDINE
AS-66163

MDL Number

MFCD06796984

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4'-(4-Bromophenyl)-2,2':6',2''-terpyridine (CAS: 89972-76-9)?

4'-(4-Bromophenyl)-2,2':6',2''-terpyridine is a crystalline compound with a molecular weight of approximately 385.14 g/mol. It has low water solubility and moderate solubility in organic solvents like DMF and DMSO. This compound is known for its reactivity towards metal complexes and its stability in various environments.

How is 4'-(4-Bromophenyl)-2,2':6',2''-terpyridine (CAS: 89972-76-9) typically synthesized?

4'-(4-Bromophenyl)-2,2':6',2''-terpyridine is synthesized through a multistep process involving the bromination of 2,2':6',2''-terpyridine followed by coupling with 4-bromophenyl. Commonly, this involves the use of bromine in pyridine as a brominating agent and palladium catalysis for the coupling step. The final product is formed with high yield and selectivity.

What industries use 4'-(4-Bromophenyl)-2,2':6',2''-terpyridine (CAS: 89972-76-9)?

4'-(4-Bromophenyl)-2,2':6',2''-terpyridine is used in the pharmaceutical industry for the synthesis of metal complexes with therapeutic potential. It also has applications in polymer science for the development of conductive polymers and in the electronics industry for semiconductor devices. Additionally, it is used in sensor technology for detecting various analytes.

What precautions should be taken when handling 4'-(4-Bromophenyl)-2,2':6',2''-terpyridine (CAS: 89972-76-9)?

When handling 4'-(4-Bromophenyl)-2,2':6',2''-terpyridine, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or under a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed safety information.