Methyl 2-fluorobenzoate

Name: Methyl 2-fluorobenzoate
Brand: ChemScene
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CAS No. 394-35-4
Cat. No. CS-W018052
Purity≥98%
MDL No.MFCD00017913

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 394-35-4

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Description

Methyl 2-fluorobenzoate is a fluorinated aromatic ester featuring a strategically positioned fluorine atom ortho to the ester group. This substitution enhances electronic effects and influences reactivity in downstream synthetic transformations. The compound exhibits favorable solubility in common organic solvents and maintains stability under standard bench conditions, enabling reliable use in medicinal chemistry and materials synthesis workflows.

Application

Methyl 2-fluorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the ortho-fluorine position via palladium-catalyzed cross-coupling. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of substituted biaryl and heterocyclic scaffolds. The ester group provides additional handles for derivatization, while the fluorine atom enhances metabolic stability in medicinal chemistry applications.

General Information

CAS No. 394-35-4
Cat. No. CS-W018052
Purity ≥98%
MDL No. MFCD00017913
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇FO₂
Molecular Weight 154.14
Synonym(s) 2-Fluorobenzoic Acid Methyl Ester
SMILES C1=CC=CC(=C1F)C(OC)=O

Computational Chemistry Data

TPSA 26.3
LogP 1.6123
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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 2-fluorobenzoate

CAS No. 394-35-4

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