Methyl 4-bromo-3-fluorobenzoate

Name: Methyl 4-bromo-3-fluorobenzoate
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CAS No. 849758-12-9
Cat. No. CS-W005414
Purity≥98%
MDL No.MFCD08436044

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Methyl 4-bromo-3-fluorobenzoate|CS-W005414

Structure of 849758-12-9

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Description

Methyl 4-bromo-3-fluorobenzoate features a strategically positioned bromo and fluoro substituent on the aromatic ring, enabling selective coupling reactions in cross-coupling and functionalization workflows. The ester group provides a handle for further derivatization, while the electron-withdrawing halogens enhance reactivity in palladium-catalyzed transformations. This compound serves as a key intermediate in medicinal chemistry and materials science applications.

Application

Methyl 4-bromo-3-fluorobenzoate serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates Suzuki, Stille, or Negishi coupling, while the fluorine substituent enhances metabolic stability and modulates electronic properties. Its bench-stable nature and straightforward purification support scalable synthesis of complex aromatic architectures.

General Information

CAS No. 849758-12-9
Cat. No. CS-W005414
Purity ≥98%
MDL No. MFCD08436044
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-3-fluorobenzoic Acid Methyl Ester
SMILES O=C(OC)C1=CC=C(Br)C(F)=C1

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#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-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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Methyl 4-bromo-3-fluorobenzoate

CAS No. 849758-12-9

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