Description

Benzeneacetic Acid, 3-Nitro-5-(Trifluoromethyl)-, Methyl Ester is a specialized aromatic ester building block of significant interest in advanced organic synthesis. This compound matters for its unique trifluoromethyl and nitro substituents, which are key pharmacophores for modulating the lipophilicity, metabolic stability, and biological activity of target molecules. It is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for the creation of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key synthon for the research and development of novel drug candidates, particularly in areas targeting CNS disorders, inflammation, and oncology.
• Agrochemical Synthesis: Serves as a precursor in the design and production of advanced herbicides, fungicides, and insecticides, leveraging the bioactivity-enhancing trifluoromethyl group.
• Liquid Crystal & OLED Material Research: Used in the synthesis of advanced organic electronic materials due to its aromatic core and polar substituents.
• Dye & Pigment Intermediate: Employed in the development of specialized nitro-aromatic dyes and high-performance pigments.
• Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed reactions (e.g., Suzuki, Heck) for constructing complex biaryl structures.
• Chemical Biology Probes: Utilized in the synthesis of molecular probes and tags for studying biological systems and mechanisms.

Basic Information

Product Name	Benzeneacetic Acid, 3-Nitro-5-(Trifluoromethyl)-, Methyl Ester
CAS No.	866787-54-4
Molecular Formula	C10H8F3NO4
Molecular Weight	263.17 g/mol
Synonyms	Methyl 3-Nitro-5-(trifluoromethyl)phenylacetate; 2-[3-Nitro-5-(trifluoromethyl)phenyl]acetic Acid Methyl Ester; (3-Nitro-5-trifluoromethylphenyl)acetic Acid Methyl Ester; Methyl (3-Nitro-5-(trifluoromethyl)phenyl)acetate; Benzeneacetic acid, 3-nitro-5-(trifluoromethyl)-, methyl ester; 3-Nitro-5-trifluoromethylbenzeneacetic acid methyl ester
EINECS	Contact for details

Quality Control

Our Benzeneacetic Acid, 3-Nitro-5-(Trifluoromethyl)-, Methyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure high purity and batch-to-batch consistency suitable for research and scale-up. Comprehensive Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request.

Storage

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

Specification

Item	Specification
Appearance	Off-white to pale yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.