Methyl 3-bromo-2-fluorobenzoate

Name: Methyl 3-bromo-2-fluorobenzoate
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CAS No. 206551-41-9
Cat. No. CS-W009161
Purity≥95%
MDL No.MFCD09261255

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 3-bromo-2-fluorobenzoate|CS-W009161

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General Information

CAS No. 206551-41-9
Cat. No. CS-W009161
Purity ≥95%
MDL No. MFCD09261255
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₂
Molecular Weight 233.03
Synonym(s) 3-Bromo-2-fluorobenzoic Acid Methyl Ester
SMILES O=C(OC)C1=CC=CC(Br)=C1F

Description

Methyl 3-bromo-2-fluorobenzoate features a strategically positioned bromine and fluorine substituent on the aromatic ring, enabling selective coupling reactions in cross-coupling and functionalization workflows. The ester group provides compatibility with nucleophilic substitution and transition-metal catalyzed transformations. This bench-stable reagent integrates efficiently into synthetic sequences requiring halogen-directed regiocontrol.

Application

Methyl 3-bromo-2-fluorobenzoate serves as a versatile building block for the synthesis of fluorinated aromatic compounds. Its orthogonal halogen functionality enables selective cross-coupling reactions, particularly in palladium-catalyzed processes such as Suzuki-Miyaura and Stille couplings. The methyl ester group provides a handle for further derivatization, while the meta-bromo and ortho-fluoro substituents offer predictable regioselectivity in multi-step syntheses. Bench-stable and readily purified by flash chromatography, it functions effectively in both medicinal chemistry and process development workflows.

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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Computational Chemistry Data

TPSA 26.3
LogP 2.3748
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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-2-fluorobenzoate

CAS No. 206551-41-9

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