3-Bromo-4-methoxybenzoic acid

Name: 3-Bromo-4-methoxybenzoic acid
Brand: ChemScene
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CAS No. 99-58-1
Cat. No. CS-W002124
Purity≥97%
MDL No.MFCD00020295

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-Bromo-4-methoxybenzoic acid|CS-W002124

Structure of 99-58-1

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Description

This brominated benzoic acid derivative features a methoxy group at the para position relative to the carboxylic acid, enhancing solubility and modulating electronic properties. The ortho-bromo substituent provides a reactive handle for cross-coupling transformations. Bench-stable and moisture-tolerant, it integrates efficiently into synthetic routes requiring halogenated aromatic building blocks.

Application

3-Bromo-4-methoxybenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring via palladium-catalyzed cross-coupling reactions. The carboxylic acid group facilitates esterification, amide formation, or derivatization under standard conditions, while the bromo and methoxy substituents offer orthogonal reactivity for sequential transformations. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses requiring regioselective substitution.

General Information

CAS No. 99-58-1
Cat. No. CS-W002124
Purity ≥97%
MDL No. MFCD00020295
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrO₃
Molecular Weight 231.04
Synonym(s) 3-Bromo-p-anisic Acid
SMILES COc1ccc(cc1Br)C(=O)O

Computational Chemistry Data

TPSA 46.53
LogP 2.1559
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Synthesis Synthetic Reagents Aryne Precursors, Heteroaryne Precursors Benzyne Precursors

Key Words

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3-Bromo-4-methoxybenzoic acid

CAS No. 99-58-1

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