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CS-W001157 4
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2-Bromo-6-methoxybenzoic acid

  • CAS No. 31786-45-5

  • Cat. No. CS-W007547
  • Purity≥97%
  • MDL No.MFCD00800732

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

2-Bromo-6-methoxybenzoic acid|CS-W007547

Structure of 31786-45-5

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General Information

  • CAS No. 31786-45-5
  • Cat. No. CS-W007547
  • Purity ≥97%
  • MDL No. MFCD00800732
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₃
  • Molecular Weight 231.04
  • Synonym(s) 6-Bromo-o-anisic acid
  • SMILES O=C(O)C1=C(OC)C=CC=C1Br

Description

2-Bromo-6-methoxybenzoic acid features a bromine substituent at the ortho position relative to the carboxylic acid and a methoxy group at the para position, delivering enhanced electrophilicity and tailored solubility. This substitution pattern enables efficient coupling reactions in synthetic sequences requiring controlled reactivity.

Application

2-Bromo-6-methoxybenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient coupling reactions via its carboxylic acid and bromo functionalities. The methoxy group provides moderate electron-donating character, enhancing regioselectivity in electrophilic substitutions, while the bromine atom facilitates palladium-catalyzed cross-coupling transformations. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Safety Information

Download SDS
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   46.53
  • LogP   2.1559
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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