Description

4,4,5,5,5-Pentafluoropentyl 3-Nitrobenzoate is a specialized fluorinated organic compound that serves as a valuable building block in advanced chemical synthesis. Its unique structure, combining a pentafluoropentyl chain with a nitrobenzoate ester, makes it a critical intermediate for introducing fluorine-containing motifs into target molecules. This compound is primarily utilized by research and development chemists in the pharmaceutical and agrochemical industries. Its application is essential for developing novel active ingredients with potentially enhanced metabolic stability, bioavailability, and lipophilicity.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of fluorinated drug candidates, particularly in medicinal chemistry programs targeting CNS disorders, oncology, and anti-inflammatory agents.
• Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and pesticides where the fluorinated alkyl chain can improve compound activity and environmental persistence profiles.
• Material Science Precursor: Serves as a monomer or modifier in the synthesis of specialty polymers and liquid crystals, imparting unique surface properties and chemical resistance.
• Organic Synthesis Reagent: Employed in cross-coupling reactions and esterification processes to introduce the 4,4,5,5,5-pentafluoropentyl group into complex molecular architectures.
• Fluorine Chemistry Studies: A standard reagent in academic and industrial research focused on understanding the effects of polyfluorinated alkyl chains on chemical reactivity and physical properties.

Basic Information

Product Name	4,4,5,5,5-Pentafluoropentyl 3-Nitrobenzoate
CAS No.	314767-48-1
Molecular Formula	C12H10F5NO4
Molecular Weight	327.21 g/mol
Synonyms	3-Nitrobenzoic Acid 4,4,5,5,5-Pentafluoropentyl Ester; 4,4,5,5,5-Pentafluoropentyl m-Nitrobenzoate; m-Nitrobenzoic Acid Pentafluoropentyl Ester; Pentafluoropentyl 3-Nitrobenzoate; 1H,1H,2H,2H-Perfluoropentyl 3-Nitrobenzoate; Benzoic acid, 3-nitro-, 4,4,5,5,5-pentafluoropentyl ester; CAS 314767-48-1
EINECS	Contact for details

Quality Control

Our 4,4,5,5,5-Pentafluoropentyl 3-Nitrobenzoate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and scale-up applications. We employ advanced analytical techniques including HPLC, GC, NMR, and MS for comprehensive characterization. A Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment. Our quality system supports compliance with cGMP and ISO standards for pharmaceutical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The container should be kept tightly sealed in a dry environment to prevent moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5% w/w
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.