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CS-W001157 4
Total: USD 88.00

Methyl 5-bromo-2-(trifluoromethyl)benzoate

  • CAS No. 842136-32-7

  • Cat. No. CS-W022861
  • Purity≥95%
  • MDL No.MFCD14697999

*For research and further manufacturing use only, not for direct human use.

Methyl 5-bromo-2-(trifluoromethyl)benzoate|CS-W022861

Structure of 842136-32-7

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General Information

  • CAS No. 842136-32-7
  • Cat. No. CS-W022861
  • Purity ≥95%
  • MDL No. MFCD14697999
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrF₃O₂
  • Molecular Weight 283.04
  • Synonym(s) Methyl 5-bromo-2-(trifluoromethyl)
  • SMILES O=C(OC)C1=CC(Br)=CC=C1C(F)(F)F

Description

Methyl 5-bromo-2-(trifluoromethyl)benzoate features a brominated aromatic ring flanked by electron-withdrawing trifluoromethyl and ester groups, enabling direct functionalization in cross-coupling reactions. The sterically accessible ortho-position facilitates palladium-catalyzed transformations under standard conditions.

Application

Methyl 5-bromo-2-(trifluoromethyl)benzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromine substituent and electron-withdrawing trifluoromethyl group. The ester functionality offers compatibility with standard functional group manipulations, while the molecule exhibits good bench stability and facilitates purification via common chromatographic methods. It is particularly useful for constructing substituted heterocycles and bioactive scaffolds in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.2545
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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