Oxazole, 5-(4-chlorophenyl)-

Basic Information

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CAS Number

1008-94-2

Molecular Formula

C9H6ClNO

Molecular Weight

179.61 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=CO2)Cl

InChI

InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H

InChIKey

PJKPHOIIYXTDIA-UHFFFAOYSA-N

LogP

2.995000000000001

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Synonyms & References

English

AKOS005254931
DTXSID90512026
5-(4-chlorophenyl) oxazole
1008-94-2
5-(4-CHLOROPHENYL)OXAZOLE
TS-02505
US11634391, Compound 151
5-(4-chloro-phenyl)-oxazole
MFCD09258870
SCHEMBL472353
FT-0737540
5-(p-Chlorophenyl)oxazole
Oxazole, 5-(4-chlorophenyl)-
5-(4-Chlorophenyl)-1,3-oxazole
BDBM600912
Oxazole,5-(4-chlorophenyl)-
5-(3-Chlorophenyl)-1,3-oxazole
5-(4-chlorophenyl)Oxazole

MDL Number

MFCD09258870

FAQ

What are the physical and chemical properties of 5-(4-chlorophenyl) oxazole (CAS: 1008-94-2)?

5-(4-Chlorophenyl) oxazole (CAS: 1008-94-2) is a crystalline compound with a molecular weight of approximately 199.0 g/mol. It has a high solubility in organic solvents like dichloromethane and acetone. This compound is moderately reactive, particularly with nucleophiles. It is stable under normal conditions but should be stored away from strong oxidizing agents and acids.

How is 5-(4-chlorophenyl) oxazole (CAS: 1008-94-2) typically synthesized?

5-(4-Chlorophenyl) oxazole (CAS: 1008-94-2) is commonly synthesized through a condensation reaction between 4-chlorophenyl isothiocyanate and hydroxylamine. The reaction is typically carried out in the presence of a Lewis acid catalyst, such as aluminum chloride, leading to a high yield of the desired product.

What industries use 5-(4-chlorophenyl) oxazole (CAS: 1008-94-2)?

5-(4-Chlorophenyl) oxazole (CAS: 1008-94-2) is used in various industries, particularly in pharmaceuticals for its potential as a precursor in drug synthesis. It also finds applications in the production of polymers, sensors, and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-(4-chlorophenyl) oxazole (CAS: 1008-94-2)?

When handling 5-(4-Chlorophenyl) oxazole (CAS: 1008-94-2), it is essential to wear appropriate personal protective equipment, including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. In case of a spill, use a spill kit and follow safety data sheet (SDS) guidelines for proper disposal. Storage should be in a cool, dry place away from heat sources and oxidizing agents.