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Benzyl 2,2,2-trichloroethanimidate(CAS: 81927-55-1)

Benzyl 2,2,2-trichloroethanimidate
CAS Number

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Basic Information

Molecular Formula
C9H8Cl3NO
Molecular Weight
252.53 g/mol

Physical Properties

Melting Point
No data available
Boiling Point
106-114 °C/0.5 mmHg(lit.)
Density
1.359 g/mL at 25 °C(lit.)

Chemical Identifiers

SMILES
C1=CC=C(C=C1)COC(=N)C(Cl)(Cl)Cl
InChIKey
HUZCTWYDQIQZPM-UHFFFAOYSA-N

Database References

MDL Number
MFCD00000805
Beilstein Registry Number
2525375

FAQ

Benzyl 2,2,2-trichloroethanimidate (CAS: 81927-55-1) is a white crystalline solid with a molecular weight of approximately 279.03 g/mol. It is virtually insoluble in water but soluble in organic solvents such as diethyl ether and chloroform. The compound is relatively stable under normal conditions but can react with bases to form chloroacetamide derivatives. It is used as a precursor in organic synthesis and as a protective group reagent.
Benzyl 2,2,2-trichloroethanimidate is typically synthesized by reacting 2,2,2-trichloroethanamine with benzyl chloroformate in the presence of a base such as triethylamine. The reaction proceeds via a nucleophilic acyl substitution, yielding the imidate ester. The yield is usually around 85-90%, and the reaction is carried out under anhydrous conditions to minimize side reactions.
Benzyl 2,2,2-trichloroethanimidate (CAS: 81927-55-1) is used in various industries, primarily in the pharmaceutical and polymer sectors. It serves as a key intermediate in the synthesis of drug molecules and is also utilized in the preparation of certain polymers and functional materials. Its use in sensors and semiconductors is limited but is explored for specific applications.
When handling Benzyl 2,2,2-trichloroethanimidate (CAS: 81927-55-1), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The substance should be handled in a well-ventilated area, preferably in a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. 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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