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CS-W001157 4
Total: USD 88.00

2-Bromo-4-(trifluoromethoxy)benzoic acid

  • CAS No. 1138331-74-4

  • Cat. No. CS-0136680
  • Purity≥96%
  • MDL No.MFCD13185876

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

2-Bromo-4-(trifluoromethoxy)benzoic acid|CS-0136680

Structure of 1138331-74-4

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General Information

  • CAS No. 1138331-74-4
  • Cat. No. CS-0136680
  • Purity ≥96%
  • MDL No. MFCD13185876
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrF₃O₃
  • Molecular Weight 285.01
  • Synonym(s) 2-Bromo-4-(trifluoromethoxy)benzonic acid
  • SMILES O=C(C1=CC=C(C=C1Br)OC(F)(F)F)O

Description

2-Bromo-4-(trifluoromethoxy)benzoic acid features a trifluoromethoxy group that enhances electron-withdrawal and metabolic stability, while the bromine substituent enables facile cross-coupling reactions. This combination delivers a robust platform for constructing complex aromatic architectures in medicinal chemistry and materials science.

Application

2-Bromo-4-(trifluoromethoxy)benzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient Suzuki-Miyaura and Stille couplings due to its stable bromo substituent and ortho-carboxylic acid functionality. The trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the carboxylic acid allows for direct derivatization or salt formation. Its bench-stable solid form facilitates handling and purification in multi-step syntheses.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.0459
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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