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Chemical Structure| 126538-85-0 Chemical Structure| 126538-85-0

Structure of 126538-85-0

Chemical Structure| 126538-85-0

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Product Details of [ 126538-85-0 ]

CAS No. :126538-85-0
Formula : C7H4ClF4N
M.W : 213.56
SMILES Code : NC1=CC(C(F)(F)F)=CC(Cl)=C1F
MDL No. :MFCD11519322

Safety of [ 126538-85-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H311-H315-H319-H332
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P361-P363-P405-P501
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 126538-85-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 126538-85-0 ]

[ 126538-85-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 126538-85-0 ]
  • [ 129931-47-1 ]
YieldReaction ConditionsOperation in experiment
In acetonitrile; PREPARATION 2 This description illustrates the preparation of 3-chloro-4-fluoro-5-cyano-trifluoromethylbenzene. A solution of 3-amino-5-chloro-4-fluorotrifluoromethylbenzene (3g) in acetonitrile (10ml) was added dropwise to a stirred suspension of copper (I) cyanide (1.26g) in dry acetonitrile (50ml) whilst the reaction temperature was maintained at 0 C. After the addition was complete, the reaction mixture was allowed to warm to the ambient temperature (about 23 C.) and left overnight. The reaction mixture was poured into water, extracted with diethyl ether, dried over anhydrous magnesium sulphate and filtered. Evaporation of the solvent, under reduced pressure, gave a brown oil, which was flushed through a plug of silica gel using petroleum ether (boiling range 60-80 C.) containing diethyl ether (20% by volume) as eluent. After removal of the solvent, under reduced pressure, kugelrohr distillation of the residue gave two fractions, the first of which (boiling point 110 C. at 15mmHg) was predominantly composed of 3-chloro-4-fluoro-5-cyano-trifluoromethylbenzene. This material was used without further purification. 1 H NMR delta(CDCl3) 7.95 (1H, m); 7.85 (1H, m).
 

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