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AD79388

107317-58-8 | Methyl 4-bromo-3-(trifluoromethyl)benzoate

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% in stock $13.00 $10.00 -   +
10g 98% in stock $24.00 $17.00 -   +

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Description
Catalog Number: AD79388
Chemical Name: Methyl 4-bromo-3-(trifluoromethyl)benzoate
CAS Number: 107317-58-8
Molecular Formula: C9H6BrF3O2
Molecular Weight: 283.0419
MDL Number: MFCD10566409
SMILES: COC(=O)c1ccc(c(c1)C(F)(F)F)Br

 

Computed Properties
Complexity: 242  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 5  
Rotatable Bond Count: 2  
XLogP3: 3.4  

 

 

Upstream Synthesis Route 
  • Application in chemical synthesis:
Methyl 4-bromo-3-(trifluoromethyl)benzoate is a versatile building block in organic synthesis due to its unique chemical reactivity. It serves as a valuable intermediate in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its distinctive trifluoromethyl group imparts desirable properties to the final products, such as increased lipophilicity and bioavailability. This compound can undergo diverse transformations, including nucleophilic substitutions, radical reactions, and transition metal-catalyzed coupling reactions, making it a valuable tool for synthetic chemists in accessing complex molecular structures.
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