Description

4-Methyl-2-Nitrophenyl Triflate, 3-Nitro-4-{[(Trifluoromethyl)Sulphonyl]Oxy}Toluene is a specialized organofluorine building block and triflating reagent of significant interest in advanced synthetic chemistry. Its value lies in its ability to introduce the robust trifluoromethanesulfonate (triflate) group, a superior leaving group that facilitates a wide range of cross-coupling and functional group transformations. This high-purity intermediate is essential for researchers and process chemists in the pharmaceutical and agrochemical industries, where it is used to construct complex molecules, particularly in the development of active ingredients and novel materials. The compound, identified by CAS No. 195455-54-0, is supplied to meet the stringent demands of modern organic synthesis.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), especially those requiring aryl triflate motifs for subsequent palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille, Negishi).
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides that incorporate nitrophenyl and trifluoromethylsulfonyl functionalities.
• Material Science Research: Serves as a precursor for creating specialized polymers, liquid crystals, and organic electronic materials where the introduction of specific aromatic and electron-withdrawing groups is critical.
• Chemical Biology Probes: Employed in the design and synthesis of molecular probes and tags for studying biological systems, leveraging its reactivity for selective labeling.
• Catalyst and Ligand Development: Acts as a starting material for synthesizing novel ligands and organometallic catalysts used in asymmetric synthesis and other catalytic processes.
• Custom Synthesis & Contract Manufacturing: A valuable reagent for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) working on complex, multi-step organic syntheses for clients.

Basic Information

Product Name	4-Methyl-2-Nitrophenyl Triflate, 3-Nitro-4-{[(Trifluoromethyl)Sulphonyl]Oxy}Toluene
CAS No.	195455-54-0
Molecular Formula	C9H6F3NO5S
Molecular Weight	297.21 g/mol
Synonyms	4-Methyl-2-nitrophenyl trifluoromethanesulfonate; 2-Nitro-4-methylphenyl triflate; 1-Methyl-2-nitro-4-(trifluoromethanesulfonyloxy)benzene; 3-Nitro-4-{[(trifluoromethyl)sulfonyl]oxy}toluene; 4-Methyl-2-nitrophenyl triflate; Toluene, 3-nitro-4-[(trifluoromethyl)sulfonyl]oxy]-; Trifluoromethanesulfonic acid 4-methyl-2-nitrophenyl ester
EINECS	Contact for details

Quality Control

Every batch of 4-Methyl-2-Nitrophenyl Triflate is produced and analyzed under strict quality management protocols to ensure consistency and reliability for critical synthetic applications. Our standard grade typically meets a purity specification of ≥97% (by HPLC), with stringent control of key impurities. Identity is confirmed by spectroscopic methods (NMR, IR). A comprehensive Certificate of Analysis (COA) detailing assay, purity, and physical characteristics is provided with each shipment to support your quality and regulatory requirements.

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). This compound is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder or solid
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure (1H NMR, 13C NMR)
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 20 ppm

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