2,6-Dichloro-4-(trifluoromethyl)benzonitrile(CAS: 157021-61-9)

CAS Number
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Basic Information
Molecular Formula
C8H2Cl2F3N
Molecular Weight
240.01 g/mol
Physical Properties
Boiling Point
259.1±40.0 ºC (760 Torr),
Flash Point
110.5±27.3 ºC,
Chemical Identifiers
SMILES
C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F
InChIKey
NCXSSFQXQAOREM-UHFFFAOYSA-N
Database References
MDL Number
MFCD00220879
FAQ
2,6-Dichloro-4-(trifluoromethyl)benzonitrile is a colorless to white crystalline solid. It has a molecular weight of approximately 263.04 g/mol. This compound is not very soluble in water but is soluble in common organic solvents such as ethanol and acetone. It shows moderate reactivity, particularly in nucleophilic substitution reactions, and is less reactive towards electrophiles compared to its unsubstituted analogues.
2,6-Dichloro-4-(trifluoromethyl)benzonitrile is typically synthesized via the reaction of 2,6-dichlorotoluene with trifluoroacetonitrile in the presence of a suitable base such as potassium carbonate. The reaction is carried out under anhydrous conditions, and the yield is generally good, around 70-80%. This synthesis involves the nucleophilic substitution of the toluene ring with trifluoromethyl and nitrile groups.
2,6-Dichloro-4-(trifluoromethyl)benzonitrile is used in the pharmaceutical industry for the synthesis of certain intermediates, in the polymer industry as a monomer for specialty polymers, and in the chemical sensor industry for gas detection. It also finds application in the semiconductor industry as a precursor for the fabrication of electronic materials.
When handling 2,6-Dichloro-4-(trifluoromethyl)benzonitrile, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood. In case of a spill, it should be immediately cleaned up using appropriate methods. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage 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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