Methyl 3-bromo-5-chloro-4-hydroxybenzoate

Name: Methyl 3-bromo-5-chloro-4-hydroxybenzoate
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CAS No. 107356-01-4
Cat. No. CS-0614592
Molecule weight265.49
Purity≥96%
MDL No.None

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Methyl 3-bromo-5-chloro-4-hydroxybenzoate|CS-0614592

Structure of 107356-01-4

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General Information

CAS No. 107356-01-4
Cat. No. CS-0614592
Purity ≥96%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrClO₃
Molecular Weight 265.49
Synonym(s) None
SMILES O=C(C1=CC(Cl)=C(C(Br)=C1)O)OC

Description

Methyl 3-bromo-5-chloro-4-hydroxybenzoate features a uniquely functionalized aromatic core with orthogonal reactivity at the hydroxyl, bromo, and chloro positions. This bench-stable derivative enables selective derivatization in synthetic sequences requiring dual halogenation and phenolic handling. The methyl ester facilitates downstream transformations while maintaining stability under standard conditions.

Application

Methyl 3-bromo-5-chloro-4-hydroxybenzoate serves as a versatile building block for the synthesis of functionalized aromatic scaffolds. The molecule combines bromo and chloro electrophiles with a phenolic hydroxyl group, enabling sequential cross-coupling reactions and selective derivatization. Its bench-stable nature and compatibility with Pd-catalyzed transformations facilitate efficient access to substituted biaryls and complex heterocycles in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 46.53
LogP 2.5947
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-bromo-5-chloro-4-hydroxybenzoate

CAS No. 107356-01-4

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