5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine

Basic Information

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CAS Number

918516-27-5

Molecular Formula

C13H9ClN2

Molecular Weight

228.68 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=CC(=CC=C1C2=CN=C3C(=C2)C=CN3)Cl

InChI

InChI=1S/C13H9ClN2/c14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11/h1-8H,(H,15,16)

InChIKey

AIRHBAXIGSQPNX-UHFFFAOYSA-N

LogP

3.883300000000001

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

238

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

1H-Pyrrolo[2,3-b]pyridine, 5-(4-chlorophenyl)-
5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
AK160999
AX8267091
ST24044199
5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine (ACI)
5-(4-Chlorophenyl)-7-azaindole
918516-27-5
MFCD22682656
SCHEMBL410298
DS-9833
DB-219150
CS-0158093
DTXSID20728774
1356397-48-2
5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDINE
AC-26972
AKOS024464287

MDL Number

MFCD22682656

FAQ

What are the physical and chemical properties of 5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 918516-27-5)?

5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine is a crystalline solid with a molecular weight of approximately 241.17 g/mol. It is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly towards nucleophiles and bases, and it tends to undergo substitution reactions under certain conditions.

How is 5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 918516-27-5) typically synthesized?

5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine is typically synthesized via the chlorination of 1-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5(4H)-one. This process involves the use of a Lewis acid catalyst, such as aluminum chloride, in a suitable solvent like dichloromethane. The reaction is sensitive to temperature and requires careful control to achieve high yield and selectivity.

What industries use 5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 918516-27-5)?

5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It can also be used in the chemical industry for the development of new materials, particularly in the areas of polymers and sensors. Its potential in semiconductors is also being explored, although it is not yet widely used in this field.

What precautions should be taken when handling 5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 918516-27-5)?

When handling 5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine, it is essential to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight. In case of spillage, the area should be handled in a well-ventilated fume hood, and appropriate disposal methods should be followed. For detailed safety information, refer to the Material Safety Data Sheet (MSDS).