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CS-W001157 4
Total: USD 88.00

4-Bromo-2-tert-Butylbenzoic acid

  • CAS No. 14034-99-2

  • Cat. No. CS-0224517
  • Molecule weight257.12
  • Purity≥98%
  • MDL No.None

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

4-Bromo-2-tert-Butylbenzoic acid|CS-0224517

Structure of 14034-99-2

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General Information

  • CAS No. 14034-99-2
  • Cat. No. CS-0224517
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃BrO₂
  • Molecular Weight 257.12
  • Synonym(s) 4-Bromo-2-tert-butyl-benzoic acid
  • SMILES O=C(O)C1=CC=C(Br)C=C1C(C)(C)C

Description

4-Bromo-2-tert-butylbenzoic acid features a sterically hindered tert-butyl group flanking a brominated aromatic ring, enhancing stability and directing electrophilic substitution. This electron-deficient carboxylic acid integrates readily into pharmaceutical intermediates and functional materials under standard conditions.

Application

4-Bromo-2-tert-butylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, offering a sterically hindered aromatic core with orthogonal functional handles. The carboxylic acid group enables direct amidation, esterification, or coupling reactions, while the bromine facilitates palladium-catalyzed cross-coupling transformations. Its tert-butyl substituent enhances bench stability and solubility in organic media, simplifying purification and handling 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.4448
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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