4'-Chloro-2,2':6',2''-terpyridine

Basic Information

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CAS Number

128143-89-5

Molecular Formula

C15H10ClN3

Molecular Weight

267.72 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

148-150 °C

Boiling Point

416.73°C (rough estimate)

Water Solubility

Slightly soluble in water.

Refractive Index

1.6010 (estimate)

SMILES

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C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)Cl

InChI

InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H

InChIKey

AHEMFMCEBIJRMU-UHFFFAOYSA-N

LogP

3.8590000000000018

Topological Polar Surface Area

38.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

261

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

J-400573
SCHEMBL517337
4'-Chloro-2,2':6',2'-terpyridine
4'-chloro-2.2':6'.2''-terpyridine
4 inverted exclamation mark -Chloro-2,2 inverted exclamation mark :6 inverted exclamation mark ,2 inverted exclamation mark inverted exclamation mark -terpyridine
4-chloro-2,6-dipyridin-2-ylpyridine
4'-chloro-[2,2';6',2'']-terpyridine
4'-Chloro-[2,2'6',2']Terpyridine
BDBM50401354
4'-chloro-[2,2';6',2'']terpyridine
AHEMFMCEBIJRMU-UHFFFAOYSA-N
MFCD00191930
AS-19986
SY050155
2,2':6',2''-Terpyridine, 4'-chloro-
FT-0617991
4-chloro-2,6-bis(2-pyridyl)pyridine;4'-Chloro-2,2,2':6',2''-terpyridine
AMS_CNC_ID-110981057
YSWG811
4'-chloro-2,2';6',2''-terpyridine
C3187
4'-Chloro-2,2',6',2''-Terpyridine
DTXSID00349885
AKOS015891546
4'-Chloro-2,2':6',2''-terpyridine
A805791
128143-89-5
CHEMBL2205805
E10304
4-Chloro-2,2:6,2-Terpyridine
CS-W004586

MDL Number

MFCD00191930

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4'-Chloro-2,2':6',2''-terpyridine (CAS: 128143-89-5)?

4'-Chloro-2,2':6',2''-terpyridine (CAS: 128143-89-5) is a crystalline solid with a molecular weight of approximately 306.03 g/mol. It has low water solubility but good solubility in organic solvents like dichloromethane and dimethylformamide. The compound is moderately reactive, showing some tendency for substitution reactions. It is susceptible to hydrolysis under basic conditions.

How is 4'-Chloro-2,2':6',2''-terpyridine (CAS: 128143-89-5) typically synthesized?

4'-Chloro-2,2':6',2''-terpyridine is typically synthesized via a two-step process: first, chlorination of 2,2':6',2''-terpyridine to form the 4'-chlorinated derivative, and then purification of the product. The chlorination step is often catalyzed by Lewis acids or reactive halides, with high selectivity and yield achievable under optimized conditions.

What industries use 4'-Chloro-2,2':6',2''-terpyridine (CAS: 128143-89-5)?

4'-Chloro-2,2':6',2''-terpyridine (CAS: 128143-89-5) is primarily used in the pharmaceutical industry for its potential as a ligand in metal complexes. It also finds applications in the semiconductor industry as a dopant material, and in the polymer industry for functionalization and modification of materials. Additionally, it is used in sensors and as a precursor in material science.

What precautions should be taken when handling 4'-Chloro-2,2':6',2''-terpyridine (CAS: 128143-89-5)?

When handling 4'-Chloro-2,2':6',2''-terpyridine (CAS: 128143-89-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Work should be conducted in a well-ventilated area or a fume hood. Disposal should follow local regulations, and spills should be cleaned up with appropriate materials. Always refer to the Safety Data Sheet (SDS) for specific handling and emergency procedures.