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4-(Bromomethyl)-3-(Trifluoromethyl)Benzonitrile CAS NO 853368-32-8
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CAS No.:853368-32-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile is a versatile and high-value aromatic building block containing both bromomethyl and trifluoromethyl functional groups. This compound is critical for the synthesis of complex molecules where the introduction of these reactive handles enables further structural elaboration. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced intermediates. The presence of the electron-withdrawing nitrile and trifluoromethyl groups also makes it a valuable precursor for materials science applications.
Application
- Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting kinase inhibitors and other small-molecule therapeutics.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group often enhances biological activity and metabolic stability.
- Ligand and Catalyst Development: Serves as a precursor for synthesizing specialized ligands and organocatalysts used in asymmetric synthesis and cross-coupling reactions.
- Functional Material Precursor: Employed in the synthesis of organic electronic materials, liquid crystals, and advanced polymers where its aromatic core and functional groups impart specific electronic or physical properties.
- Cross-Coupling Reactions: The bromomethyl moiety acts as an excellent electrophile for nucleophilic substitution (SN2) and as a substrate for metal-catalyzed cross-couplings, such as Suzuki or Buchwald-Hartwig amination, after functional group transformation.
- Chemical Biology Probes: Useful for the design and synthesis of molecular probes and tags for studying biological processes, leveraging its reactivity for bioconjugation.
Basic Information
| Product Name | 4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile |
| CAS No. | 853368-32-8 |
| Molecular Formula | C9H5BrF3N |
| Molecular Weight | 264.04 g/mol |
| Synonyms | 3-(Trifluoromethyl)-4-(bromomethyl)benzonitrile; 4-Bromomethyl-3-trifluoromethylbenzonitrile; 2-Bromomethyl-α,α,α-trifluoro-p-tolunitrile; Benzonitrile, 4-(bromomethyl)-3-(trifluoromethyl)-; p-Cyanobenzyl bromide, 3-trifluoromethyl- |
| EINECS | Contact for details |
Quality Control
Our 4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and consistent identity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment ensures the material meets the stringent requirements for research and cGMP-grade intermediate synthesis.
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 strong acids and incompatible organic solvents. Due to the light-sensitive nature and reactivity of the bromomethyl group, prolonged exposure to light or moisture should be avoided to maintain product integrity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 98.0% |
| Melting Point | Contact for details |
| Heavy Metals | < 10 ppm |
| Residual Solvents (GC) | Complies with ICH guidelines |
| Water Content (KF) | < 0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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