5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one | CAS No. 873090-18-7

5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one

Basic Information

CAS Number

873090-18-7

Molecular Formula

C8H5BrN2O2

Molecular Weight

241.04 g/mol

AD

Basic Physical Properties

C1=CC(=CC(=C1)Br)C2=NNC(=O)O2

InChI

InChI=1S/C8H5BrN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)

InChIKey

ZVWSHDFGLFCEID-UHFFFAOYSA-N

LogP

1.7923999999999993

Topological Polar Surface Area

58.89 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

255

Synonyms & References

English

  • 5-(3-Bromophenyl)-3H-[1,3,4]oxadiazol-2-one
  • YJB09018
  • SCHEMBL13050395
  • MFCD11865329
  • CS-0210354
  • 1,3,4-Oxadiazol-2(3H)-one,5-(3-bromophenyl)-
  • 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
  • 5-(3-bromophenyl)-1,3,4-oxadiazol-2(3H)-one
  • 873090-18-7
  • AS-40773
  • DTXSID00647777
  • FT-0755600
  • AKOS013512974
  • 5-(3-BROMO-PHENYL)-3H-[1,3,4]OXADIAZOL-2-ONE
  • Q-103565
  • A847792
  • 5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one
  • 1,3,4-Oxadiazol-2(3H)-one, 5-(3-bromophenyl)-

MDL Number

MFCD11865329

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS: 873090-18-7)?

5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one is a crystalline compound with a molecular weight of approximately 269.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetonitrile. The compound is known for its stability and reactivity in various chemical transformations. It readily forms coordination complexes and can undergo nucleophilic substitution reactions.

How is 5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS: 873090-18-7) typically synthesized?

5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one can be synthesized by bromination of 3-phenylbenzaldehyde followed by reaction with sodium hydroxide and oxalyl chloride. The synthesis involves the use of a phase-transfer catalyst such as tetra-n-butylammonium hydroxide to enhance the reaction yield. The final product is obtained with good yield and selectivity.

What industries use 5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS: 873090-18-7)?

5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one is used in the pharmaceutical industry for the synthesis of certain drugs, and it also finds applications in the development of sensors and semiconductors. It is less commonly used in polymer synthesis but can be employed in advanced materials research.

What precautions should be taken when handling 5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS: 873090-18-7)?

When handling 5-(3-Bromophenyl)-1,3,4-oxadiazol-2(3H)-one, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from heat and ignition sources. Inhalation, ingestion, and skin contact should be avoided. In case of spillage, the area should be ventilated, and appropriate cleanup procedures should be followed. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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