Methyl 3-bromo-4-fluorobenzoate

Name: Methyl 3-bromo-4-fluorobenzoate
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CAS No. 82702-31-6
Cat. No. CS-W005915
Purity≥98%
MDL No.MFCD04972915

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Methyl 3-bromo-4-fluorobenzoate|CS-W005915

Structure of 82702-31-6

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Description

Methyl 3-bromo-4-fluorobenzoate features a strategically positioned bromo and fluoro substituent on the aromatic ring, enabling selective cross-coupling reactions. The ester functionality supports downstream derivatization, while the electron-withdrawing halogens enhance reactivity in palladium-catalyzed transformations. This bench-stable compound integrates seamlessly into complex molecular architectures under standard conditions.

Application

Methyl 3-bromo-4-fluorobenzoate 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 and meta-fluoro substituents provide complementary reactivity for sequential functionalization. Its bench-stable nature and compatibility with standard purification methods make it well-suited for multi-step synthetic sequences.

General Information

CAS No. 82702-31-6
Cat. No. CS-W005915
Purity ≥98%
MDL No. MFCD04972915
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₂
Molecular Weight 233.04
Synonym(s) 3-Bromo-4-fluorobenzoic Acid Methyl Ester
SMILES COC(=O)C1=CC(Br)=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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Building Blocks for Pharmaceutical Ingredients

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Methyl 3-bromo-4-fluorobenzoate

CAS No. 82702-31-6

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