Methyl 3-chloro-4-fluorobenzoate

Name: Methyl 3-chloro-4-fluorobenzoate
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CAS No. 234082-35-0
Cat. No. CS-W006070
Purity≥98%
MDL No.MFCD06203675

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Methyl 3-chloro-4-fluorobenzoate|CS-W006070

Structure of 234082-35-0

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General Information

CAS No. 234082-35-0
Cat. No. CS-W006070
Purity ≥98%
MDL No. MFCD06203675
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO₂
Molecular Weight None
Synonym(s) None
SMILES ClC1=C(C=CC(=C1)C(=O)OC)F

Description

Methyl 3-chloro-4-fluorobenzoate features a benzene ring bearing ortho-chloro and meta-fluoro substituents, enabling selective functionalization in pharmaceutical synthesis. The ester group facilitates downstream derivatization, while the halogenated framework supports cross-coupling reactions under mild conditions. This bench-stable compound integrates readily into complex molecular architectures.

Application

Methyl 3-chloro-4-fluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds. Its orthogonal halogen reactivity facilitates palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The ester group provides a handle for selective transformations, while the meta-chloro and para-fluoro substituents offer predictable regiochemical control in downstream functionalization. Bench-stable and readily purified by column chromatography, it supports scalable synthesis of bioactive molecules and heterocyclic intermediates.

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 3-chloro-4-fluorobenzoate

CAS No. 234082-35-0

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