Description

2,3,4,5,6-Pentafluorophenyl 2-Methyl-5-Nitrobenzenesulfonate is a specialized sulfonate ester derivative, valued for its role as a versatile synthetic intermediate and activating reagent in advanced organic synthesis. Its molecular architecture, featuring both a highly electron-deficient pentafluorophenyl group and a nitro-substituted aromatic ring, makes it particularly effective for constructing complex molecules under mild conditions. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and materials science industries who require high-purity building blocks for developing active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for introducing sulfonate ester functionalities.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides.
• Material Science: Serves as a precursor or modifying agent in the creation of specialty polymers and advanced organic materials.
• Cross-Coupling Reactions: Acts as an effective electrophile in metal-catalyzed cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig aminations.
• Bioconjugation & Probe Development: Utilized in the design and synthesis of chemical probes, tags, and bioconjugation reagents for biochemical research.
• Organic Synthesis Reagent: Functions as an activating agent for alcohols or carboxylic acids, facilitating esterification and other condensation reactions.

Basic Information

Product Name	2,3,4,5,6-Pentafluorophenyl 2-Methyl-5-Nitrobenzenesulfonate
CAS No.	885950-60-7
Molecular Formula	C₁₃H₆F₅NO₅S
Molecular Weight	383.25 g/mol
Synonyms	2-Methyl-5-nitrobenzenesulfonic acid pentafluorophenyl ester; Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate; 2-Methyl-5-nitrobenzene-1-sulfonyl fluoride pentafluorophenyl ester derivative; 5-Nitro-o-toluenesulfonic acid pentafluorophenyl ester; NSC 885950; Benzenesulfonic acid, 2-methyl-5-nitro-, 2,3,4,5,6-pentafluorophenyl ester
EINECS	Contact for details

Quality Control

Every batch of 2,3,4,5,6-Pentafluorophenyl 2-Methyl-5-Nitrobenzenesulfonate undergoes rigorous analytical testing to ensure it meets the high-purity standards required for research and industrial synthesis. Our quality assurance protocols include advanced chromatographic and spectroscopic methods to verify identity, potency, and impurity profiles. A comprehensive Certificate of Analysis (COA) detailing purity (typically ≥95% by HPLC), physical data, and specific test results is provided with each shipment to guarantee traceability and compliance with your internal specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, handling and packaging should be conducted under appropriate conditions to maintain product integrity.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Heavy Metals	≤ 20 ppm

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