Methyl 2-bromo-4-fluorobenzoate

Name: Methyl 2-bromo-4-fluorobenzoate
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CAS No. 653-92-9
Cat. No. CS-0041783
Purity≥98%
MDL No.MFCD06204026

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Methyl 2-bromo-4-fluorobenzoate|CS-0041783

Structure of 653-92-9

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Description

Methyl 2-bromo-4-fluorobenzoate features a strategically positioned bromine and fluorine substituent on the aromatic ring, enabling selective cross-coupling reactions. The ester functionality provides stability and facilitates downstream derivatization under standard conditions. This ortho-bromo, para-fluoro motif supports efficient palladium-catalyzed transformations in complex molecule synthesis.

Application

Methyl 2-bromo-4-fluorobenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its ortho-bromo and para-fluoro substituents. The methyl ester group provides a handle for further functionalization, while the molecule exhibits excellent bench stability and compatibility with standard reaction conditions, facilitating efficient synthesis of complex aryl scaffolds.

General Information

CAS No. 653-92-9
Cat. No. CS-0041783
Purity ≥98%
MDL No. MFCD06204026
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₂
Molecular Weight 233.03
Synonym(s) Methyl 4-fluoro-2-bromobenzoate
SMILES COC(=O)C1=C(Br)C=C(F)C=C1

Computational Chemistry Data

TPSA 26.3
LogP 2.3748
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

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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-fluorobenzoate

CAS No. 653-92-9

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