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5-Chloro-3-phenyl-1,2,4-oxadiazole(CAS: 827-44-1)

5-Chloro-3-phenyl-1,2,4-oxadiazole
CAS Number

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Basic Information

Molecular Formula
C8H5ClN2O
Molecular Weight
180.59 g/mol

Physical Properties

Melting Point
37-38 ºC
Density
1.328±0.06 g/cm3 (20 ºC 760 Torr),

Chemical Identifiers

SMILES
ClC1=NC(=NO1)C1=CC=CC=C1
InChIKey
MOJYPXFSJLVCRN-UHFFFAOYSA-N

Database References

MDL Number
MFCD09971531

FAQ

5-Chloro-3-phenyl-1,2,4-oxadiazole (CAS: 827-44-1) is a crystalline solid with a molecular weight of approximately 226.08 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is known for its chemical stability but can undergo hydrolysis under basic conditions. It reacts efficiently with reducing agents and has limited reactivity with other compounds under normal conditions.
5-Chloro-3-phenyl-1,2,4-oxadiazole (CAS: 827-44-1) is commonly synthesized via the reaction of phenyl isothiocyanate with chloroacetyl chloride in the presence of a base like sodium hydroxide. This process yields the target compound with good selectivity and a yield of around 75-85%. The reaction is typically carried out in a solvent such as acetonitrile under reflux conditions.
5-Chloro-3-phenyl-1,2,4-oxadiazole (CAS: 827-44-1) is utilized in various industries, including pharmaceuticals, polymers, and sensors. In the pharmaceutical sector, it serves as a key intermediate in the synthesis of certain drugs. In the polymer industry, it functions as a stabilizer or additive. Additionally, it is employed in the manufacture of sensors due to its chemical reactivity and sensing properties.
When handling 5-Chloro-3-phenyl-1,2,4-oxadiazole (CAS: 827-44-1), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. In case of eye contact, flush with water for at least 15 minutes. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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