4-Fluoro-1,3-benzoxazol-2(3H)-one

Basic Information

View in Editor

CAS Number

590422-12-1

Molecular Formula

C7H4FNO2

Molecular Weight

153.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

View in Editor

O=C1OC2=CC=CC(F)=C2N1

InChI

InChI=1S/C7H4FNO2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)

InChIKey

DLNMLICVXVLIKO-UHFFFAOYSA-N

LogP

1.2601999999999998

Topological Polar Surface Area

46.0 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

4-fluoro-3H-1,3-benzoxazol-2-one

MDL Number

MFCD11845131

FAQ

What are the physical and chemical properties of 4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS: 590422-12-1)?

4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS 590422-12-1) is a crystalline solid with a molecular weight of approximately 187.12 g/mol. It has a solubility of about 1.2 g/L in water and is soluble in common organic solvents like DMSO and acetonitrile. This compound is relatively stable but can react with strong bases. It is used as an intermediate in the synthesis of various pharmaceuticals and functional polymers.

How is 4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS: 590422-12-1) typically synthesized?

4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS 590422-12-1) can be synthesized via the condensation of 4-fluorobenzaldehyde with urea followed by ring closure. The reaction typically requires a condensing agent like hydroxylamine hydrochloride or phthalimide. The yield is generally around 75-80%, and the method is selective, producing the desired product with high purity.

What industries use 4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS: 590422-12-1)?

4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS 590422-12-1) is primarily used in the pharmaceutical and polymer industries. It serves as an intermediate in the synthesis of various drugs and also finds applications in the development of functional polymers and sensors. Additionally, it is sometimes used in semiconductor manufacturing processes.

What precautions should be taken when handling 4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS: 590422-12-1)?

When handling 4-Fluoro-1,3-benzoxazol-2(3H)-one (CAS 590422-12-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be worked with in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. For detailed safety information, refer to the Safety Data Sheet (SDS).