Methyl 3-bromo-4,5-difluorobenzoate

Name: Methyl 3-bromo-4,5-difluorobenzoate
Brand: ChemScene
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CAS No. 1244642-70-3
Cat. No. CS-0099127
Purity≥98%
MDL No.MFCD20483155

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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-4,5-difluorobenzoate|CS-0099127

Structure of 1244642-70-3

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Description

Methyl 3-bromo-4,5-difluorobenzoate features a trifunctional aromatic core with bromo and dual fluorine substituents positioned ortho to the ester group. This electron-deficient scaffold enables direct functionalization in cross-coupling reactions, integrating seamlessly into complex molecular architectures. The methyl ester facilitates downstream transformations, while the bench-stable nature supports reliable handling under standard conditions.

Application

Methyl 3-bromo-4,5-difluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis. The bromo group enables palladium-catalyzed cross-coupling reactions, while the difluoro substitution pattern enhances metabolic stability and modulates electronic properties. Its methyl ester functionality allows for selective derivatization, and the compound exhibits excellent bench stability and compatibility with standard purification techniques.

General Information

CAS No. 1244642-70-3
Cat. No. CS-0099127
Purity ≥98%
MDL No. MFCD20483155
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-4,5-difluoro-, methyl ester
SMILES O=C(C1=CC(F)=C(C(Br)=C1)F)OC

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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

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Methyl 3-bromo-4,5-difluorobenzoate

CAS No. 1244642-70-3

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