Methyl 4-bromo-2,6-difluorobenzoate

Name: Methyl 4-bromo-2,6-difluorobenzoate
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CAS No. 773134-11-5
Cat. No. CS-0018767
Purity≥96%
MDL No.MFCD06204169

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Type	HazMat Fee
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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 4-bromo-2,6-difluorobenzoate|CS-0018767

Structure of 773134-11-5

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Description

Methyl 4-bromo-2,6-difluorobenzoate features a trifunctional aromatic core with orthogonal reactivity: the ester group enables derivatization, while the bromo and difluoro substituents offer distinct handles for cross-coupling and directed functionalization. This bench-stable, moisture-tolerant scaffold integrates seamlessly into complex molecular architectures.

Application

Methyl 4-bromo-2,6-difluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis. The ortho-fluoro substituents enhance metabolic stability and modulate electronic properties, while the bromo group enables palladium-catalyzed cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient late-stage diversification in complex molecule assembly.

General Information

CAS No. 773134-11-5
Cat. No. CS-0018767
Purity ≥96%
MDL No. MFCD06204169
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O₂
Molecular Weight 251.02
Synonym(s) Methyl 4-bromo-2
SMILES O=C(OC)C1=C(F)C=C(Br)C=C1F

Computational Chemistry Data

TPSA 26.3
LogP 2.5139
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-2,6-difluorobenzoate

CAS No. 773134-11-5

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