5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole(CAS: 51802-78-9)

CAS Number
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Basic Information
Molecular Formula
C9H6Cl2N2O
Molecular Weight
229.07 g/mol
Physical State
White to Yellow Solid
Physical Properties
Boiling Point
356.8°C at 760 mmHg
Density
1.4
Flash Point
169.6°C
Chemical Identifiers
SMILES
C1=CC(=CC(=C1)Cl)C2=NOC(=N2)CCl
InChIKey
TWFGGYWZWDPXGT-UHFFFAOYSA-N
Database References
MDL Number
MFCD07310999
FAQ
5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole has a crystalline form. Its molecular weight is approximately 297.04 g/mol. It is slightly soluble in water but soluble in organic solvents like methanol and ethanol. The compound is known to be reactive towards nucleophiles and can undergo various chemical reactions such as nucleophilic substitution and condensation.
How is 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS: 51802-78-9) typically synthesized?
5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is typically synthesized through a multi-step reaction involving the coupling of 3-chlorophenyl isothiocyanate with chloromethyl isocyanate followed by treatment with an appropriate base. The reaction conditions include the use of solvents such as dimethylformamide (DMF) and the employment of a base like triethylamine to promote the reaction.
5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole finds applications in the pharmaceutical industry for its use as a precursor in drug synthesis. It is also utilized in the sensor technology sector for the development of gas sensors. Additionally, the compound can be used in the semiconductor industry as a precursor for the fabrication of semiconducting materials.
When handling 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole, appropriate personal protective equipment (PPE) should be worn, including gloves and safety glasses. The compound should be stored in a fume hood to minimize exposure to air. In case of spills, they should be carefully cleaned up using appropriate safety protocols, and it is advisable to consult the Material Safety Data Sheet (MSDS) for specific guidelines.
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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