4-Chloro-3-(trifluoromethoxy)benzonitrile(CAS: 886501-50-4)

CAS Number
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Basic Information
Molecular Formula
C8H3ClF3NO
Molecular Weight
17.03 g/mol
Physical Properties
Melting Point
36-38℃
Boiling Point
206.8±40.0℃ (760 Torr)
Density
1.47±0.1 g/cm3 (20 ºC 760 Torr)
Flash Point
78.9±27.3℃
Chemical Identifiers
SMILES
C1=CC(=C(C=C1C#N)OC(F)(F)F)Cl
InChIKey
ODWSOYAYOGSZIG-UHFFFAOYSA-N
Database References
MDL Number
MFCD06660261
FAQ
4-Chloro-3-(trifluoromethoxy)benzonitrile (CAS: 886501-50-4) is a white to off-white crystalline solid with a molecular weight of approximately 315.03 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is known for its high reactivity, particularly towards nucleophiles and electrophiles due to the presence of the trifluoromethoxy and chlorine substituents.
4-Chloro-3-(trifluoromethoxy)benzonitrile (CAS: 886501-50-4) can be synthesized through a multistep process involving the bromination of 3-(trifluoromethoxy)benzonitrile followed by displacement with sodium chloride. The reaction is typically performed under an inert atmosphere using a catalytic amount of a base such as potassium carbonate and a suitable solvent like NMP (N-Methyl-2-pyrrolidone). The yield can range from 75% to 90%, depending on the purity of the starting materials and the reaction conditions.
4-Chloro-3-(trifluoromethoxy)benzonitrile (CAS: 886501-50-4) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry, where it can be used as a monomer or as a comonomer in the production of specific polymers. Additionally, it is utilized in the development of sensors and as an intermediate in the electronics industry due to its unique chemical properties.
When handling 4-Chloro-3-(trifluoromethoxy)benzonitrile (CAS: 886501-50-4), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a laboratory coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Emergency procedures should be followed, and the Material Safety Data Sheet (MSDS) should be readily available for reference. Handling this compound requires careful attention to safety due to its reactivity and potential irritant properties.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
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