6-Chloro-1,3-benzoxazole

Basic Information

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CAS Number

227197-72-0

Molecular Formula

C7H4ClNO

Molecular Weight

153.57 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

Flash Point

90.653℃

SMILES

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ClC1=CC2=C(C=C1)N=CO2

InChI

InChI=1S/C7H4ClNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H

InChIKey

JJOOKXUUVWIARB-UHFFFAOYSA-N

LogP

2.4812000000000003

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

131

Synonyms & References

English

6-Chlorobenzo[d]oxazole
6-CHLORO-BENZOXAZOLE
6-chloro-1,3-benzoxazole
6-Chlorobenzoxazole
6-chloro-benzooxazole
6-CHLORO BENZOXAZOLE
JJOOKXUUVWIARB-UHFFFAOYSA-N
1400AB
EBD2213549
AB49155
SY018757
AB0186442
ST24024364

MDL Number

MFCD09027437

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 6-Chloro-1,3-benzoxazole (CAS: 227197-72-0)?

6-Chloro-1,3-benzoxazole (CAS: 227197-72-0) is a crystalline solid with a molecular weight of approximately 173.01 g/mol. It has a solubility of about 2.1 g/100 mL in water and is poorly soluble in common organic solvents. The compound is generally stable under normal conditions but can undergo slow hydrolysis in the presence of moisture. It is moderately reactive and can participate in nucleophilic substitution reactions.

How is 6-Chloro-1,3-benzoxazole (CAS: 227197-72-0) typically synthesized?

6-Chloro-1,3-benzoxazole can be synthesized by the condensation of 4-chlorobenzaldehyde and urea. This reaction can be carried out in the presence of a suitable catalyst, such as p-toluenesulfonic acid. The yield and selectivity can be optimized by controlling the reaction conditions, such as temperature and solvent choice.

What industries use 6-Chloro-1,3-benzoxazole (CAS: 227197-72-0)?

6-Chloro-1,3-benzoxazole finds applications in various industries. It is used as a precursor in the synthesis of pharmaceuticals, particularly in the production of antifungal and antibacterial agents. It also has applications in the development of sensors, semiconductors, and as a building block in the polymer industry.

What precautions should be taken when handling 6-Chloro-1,3-benzoxazole (CAS: 227197-72-0)?

When handling 6-Chloro-1,3-benzoxazole (CAS: 227197-72-0), it is important to use appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. This compound should be handled in a fume hood due to its potential for generating harmful vapors. In the event of a spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. For comprehensive safety information, always consult the Safety Data Sheet (SDS).