Methyl 4-bromo-2-chloro-6-fluorobenzoate

Name: Methyl 4-bromo-2-chloro-6-fluorobenzoate
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CAS No. 1321613-02-8
Cat. No. CS-0093855
Purity≥97%
MDL No.MFCD22574196

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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 4-bromo-2-chloro-6-fluorobenzoate|CS-0093855

Structure of 1321613-02-8

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General Information

CAS No. 1321613-02-8
Cat. No. CS-0093855
Purity ≥97%
MDL No. MFCD22574196
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrClFO₂
Molecular Weight None
Synonym(s) Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester
SMILES O=C(OC)C1=C(F)C=C(Br)C=C1Cl

Description

Methyl 4-bromo-2-chloro-6-fluorobenzoate features a highly functionalized aromatic core with orthogonal halogen handles enabling sequential cross-coupling. The strategic placement of bromo, chloro, and fluoro substituents supports iterative diversification in late-stage synthesis. This electron-deficient ester is bench-stable and compatible with palladium-catalyzed transformations under standard conditions.

Application

Methyl 4-bromo-2-chloro-6-fluorobenzoate serves as a versatile building block for the synthesis of functionalized aromatic scaffolds in medicinal chemistry and agrochemical development. Its orthogonal halogenation pattern enables sequential cross-coupling reactions via Pd-catalyzed processes, with the bromo group typically serving as the primary site for C–C bond formation. The molecule exhibits good bench stability, facilitates straightforward purification by column chromatography, and maintains compatibility with a range of protecting groups and functional moieties under standard reaction conditions.

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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Computational Chemistry Data

TPSA 26.3
LogP 3.0282
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

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-chloro-6-fluorobenzoate

CAS No. 1321613-02-8

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