Methyl 4-chloro-3-fluorobenzoate

Name: Methyl 4-chloro-3-fluorobenzoate
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CAS No. 206362-87-0
Cat. No. CS-W002513
Purity≥98%
MDL No.MFCD00209299

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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+
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Methyl 4-chloro-3-fluorobenzoate|CS-W002513

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General Information

CAS No. 206362-87-0
Cat. No. CS-W002513
Purity ≥98%
MDL No. MFCD00209299
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO₂
Molecular Weight 188.58
Synonym(s) 3-fluoro-4-Chlorobenzoic acid methyl ester
SMILES COC(C1=CC(F)=C(Cl)C=C1)=O

Description

Methyl 4-chloro-3-fluorobenzoate features a strategically positioned chloro and fluoro substituent on the aromatic ring, enabling precise electronic tuning for coupling reactions. This bench-stable ester integrates readily into synthetic sequences requiring orthogonal reactivity, delivering efficient access to functionalized aryl scaffolds under standard conditions.

Application

Methyl 4-chloro-3-fluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling. Its ortho-halogenated aryl framework provides predictable reactivity for Suzuki, Stille, and Negishi couplings, while the ester group offers compatibility with standard deprotection and derivatization protocols. Bench-stable and readily purified by recrystallization or flash chromatography, it functions reliably in multi-step synthetic sequences requiring high functional group tolerance and predictable regiochemistry.

Safety Information

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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 2.2657
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-chloro-3-fluorobenzoate

CAS No. 206362-87-0

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