Methyl 3-bromo-2,6-difluorobenzoate

Name: Methyl 3-bromo-2,6-difluorobenzoate
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CAS No. 1378875-92-3
Cat. No. CS-0188112
Purity≥98%
MDL No.None

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 3-bromo-2,6-difluorobenzoate|CS-0188112

Structure of 1378875-92-3

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General Information

CAS No. 1378875-92-3
Cat. No. CS-0188112
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrF₂O₂
Molecular Weight 251.02
Synonym(s) Benzoic acid, 3-bromo-2,6-difluoro-, methyl ester
SMILES COC(=O)C1=C(C=CC(=C1F)Br)F

Description

Methyl 3-bromo-2,6-difluorobenzoate features a trifunctional aromatic core with strategically positioned bromo and difluoro substituents that enable selective cross-coupling reactions. The ester group provides synthetic versatility for downstream derivatization, while the electron-deficient ring enhances reactivity in palladium-catalyzed transformations. This bench-stable compound serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

Methyl 3-bromo-2,6-difluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. The ortho-fluoro substituents enhance electrophilicity at the adjacent carbon, facilitating nucleophilic aromatic substitution under mild conditions. Bench-stable and readily purified by column chromatography, it functions as a key intermediate for constructing complex fluorinated heterocycles and bioactive scaffolds.

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-H320-H335
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

TPSA 26.3
LogP 2.5139
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

Key Words

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Methyl 3-bromo-2,6-difluorobenzoate

CAS No. 1378875-92-3

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