Methyl 2-bromo-4,5-difluorobenzoate

Name: Methyl 2-bromo-4,5-difluorobenzoate
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CAS No. 878207-28-4
Cat. No. CS-0139196
Purity≥96%
MDL No.MFCD08458104

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FedEx Limited Quantities Ground	$0.00
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Methyl 2-bromo-4,5-difluorobenzoate|CS-0139196

Structure of 878207-28-4

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Description

Methyl 2-bromo-4,5-difluorobenzoate features a trifunctional aromatic core with strategically positioned halogens enabling selective cross-coupling. The bromine at C2 and fluorines at C4 and C5 facilitate orthogonal reactivity in palladium-catalyzed transformations. This electron-deficient ester integrates readily into complex molecular architectures under mild conditions, offering high functional group tolerance and stability during synthetic sequences.

Application

Methyl 2-bromo-4,5-difluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. The ortho-bromo group facilitates selective functionalization, while the fl uoro substituents enhance metabolic stability and modulate electronic properties. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex heterocyclic scaffolds and bioactive molecules.

General Information

CAS No. 878207-28-4
Cat. No. CS-0139196
Purity ≥96%
MDL No. MFCD08458104
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O₂
Molecular Weight 251.02
Synonym(s) methyl 2-bromo-4,5-difluoro-benzoate
SMILES O=C(OC)C1=CC(F)=C(F)C=C1Br

Computational Chemistry Data

TPSA 26.3
LogP 2.5139
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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

Quality Control

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Other Classifications

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 2-bromo-4,5-difluorobenzoate

CAS No. 878207-28-4

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