Methyl 4-bromo-2-fluorobenzoate

Name: Methyl 4-bromo-2-fluorobenzoate
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CAS No. 179232-29-2
Cat. No. CS-W003269
Purity≥98%
MDL No.MFCD06203731

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 4-bromo-2-fluorobenzoate|CS-W003269

Structure of 179232-29-2

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Description

Methyl 4-bromo-2-fluorobenzoate features a strategically positioned bromo and fluoro substituent on the aromatic ring, enabling selective coupling reactions in cross-coupling protocols. This electron-deficient ester integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 4-bromo-2-fluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogenation pattern. The ortho-fluoro and para-bromo substituents provide orthogonal reactivity for sequential functionalization, while the methyl ester group offers stability and straightforward derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for constructing complex heterocyclic scaffolds and API intermediates.

General Information

CAS No. 179232-29-2
Cat. No. CS-W003269
Purity ≥98%
MDL No. MFCD06203731
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₂
Molecular Weight 233.03
Synonym(s) 4-Bromo-2-fluorobenzoic Acid Methyl Ester
SMILES COC(C1=C(F)C=C(Br)C=C1)=O

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 4-bromo-2-fluorobenzoate

CAS No. 179232-29-2

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