Methyl 4-fluorobenzoate

Name: Methyl 4-fluorobenzoate
Brand: ChemScene
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CAS No. 403-33-8
Cat. No. CS-W007781
Purity≥98%
MDL No.MFCD00017959

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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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Description

1-(2-Aminoethyl)piperidine is used in modification of vinylbenzyl chloride/divinylbenzene gel copolymer bead and in the synthesis of linkage isomers trans-bis[1-(2-aminoethyl)piperidine]dinitronickel and trans-bis[1-(2-aminoethyl)-piperidine]dinitritonickel. It is also used as a reactant for synthesis of: analogs of anticancer agents, inhibitor of botulinum neurotoxin serotype A light chain, P. falciparum malaria, and Ebola filovirus, cannabinoid CB1 receptor antagonists, small molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cells, potent and selective 5-HT6 antagonists and N-mustards as anticancer agents. 1-(2-Aminoethyl)piperidine on [1+1] condensation reaction with 3-methoxy salicylaldehyde yields tridentate Schiff base ligand.

Application

Methyl 4-fluorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to fluorinated aromatic systems. Its ester functionality facilitates nucleophilic acyl substitution and subsequent transformations, while the para-fluoro group exhibits high stability and predictable reactivity in cross-coupling reactions. The compound demonstrates excellent bench stability and ease of purification, making it well-suited for use in medicinal chemistry and process development workflows.

General Information

CAS No. 403-33-8
Cat. No. CS-W007781
Purity ≥98%
MDL No. MFCD00017959
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇FO₂
Molecular Weight 154.14
Synonym(s) P-Fluorobenzoic Acid Methyl Ester
SMILES O=C(OC)C1=CC=C(F)C=C1

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 : GHS05,GHS07
Signal Word : Danger	UN#: 1760
Class : 8	Packing Group : Ⅲ
Hazard Statements : H227-H302-H315-H318-H335-H411
Precautionary Statements : P210-P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P391-P403-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-fluorobenzoate

CAS No. 403-33-8

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