5-Bromo-2-fluorobenzoic acid methyl ester

Name: 5-Bromo-2-fluorobenzoic acid methyl ester
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CAS No. 57381-59-6
Cat. No. CS-W009242
Purity≥95%
MDL No.MFCD06203710

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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5-Bromo-2-fluorobenzoic acid methyl ester|CS-W009242

Structure of 57381-59-6

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Description

This methyl ester derivative features a bromine atom at the 5-position and a fluorine substituent at the 2-position of the benzoic acid core, delivering enhanced electronic effects and metabolic stability. The ester functionality enables straightforward derivatization in synthetic sequences.

Application

5-Bromo-2-fluorobenzoic acid methyl ester serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo and fluoro substituents provide complementary handles for sequential functionalization, while the methyl ester facilitates direct use or selective hydrolysis. Bench-stable and readily purified by column chromatography, it functions reliably in standard coupling protocols and heterocycle construction workflows.

General Information

CAS No. 57381-59-6
Cat. No. CS-W009242
Purity ≥95%
MDL No. MFCD06203710
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₂
Molecular Weight 233.04
Synonym(s) Methyl 5-bromo-2-fluorobenzoate; Benzoic acid, 5-bromo-2-fluoro-, methyl ester
SMILES O=C(OC)C1=CC(Br)=CC=C1F

Computational Chemistry Data

TPSA 26.3
LogP 2.3748
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H301
Precautionary Statements : P264-P270-P301+P310-P330-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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5-Bromo-2-fluorobenzoic acid methyl ester

CAS No. 57381-59-6

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