Cas no 914225-53-9 (2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene)

2-Bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene is a halogenated aromatic compound featuring bromo, chloro, nitro, and trifluoromethyl substituents on a benzene ring. Its multi-functional structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of agrochemicals, pharmaceuticals, and specialty chemicals. The presence of both electron-withdrawing (nitro, trifluoromethyl) and halogen (bromo, chloro) groups enhances its reactivity in nucleophilic substitution and cross-coupling reactions. The trifluoromethyl group contributes to increased lipophilicity, which is beneficial in designing bioactive molecules. This compound’s well-defined reactivity profile and stability under standard conditions make it a reliable building block for complex molecular architectures. Proper handling is advised due to its potential toxicity and reactivity.
2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene structure
914225-53-9 structure
Product Name:2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene
CAS No:914225-53-9
MF:C7H2BrClF3NO2
MW:304.448490619659
CID:1964856
PubChem ID:29934842
Update Time:2025-06-14

2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene
    • 2-BROMO-3-CHLORO-5-NITROTRIFLUOROTOLUENE
    • 4-Bormo-3-chloro-5-(trifluoromethyl)nitrobenzene
    • DB-324914
    • AKOS015964838
    • 2-BROMO-3-CHLORO-5-NITROBENZOTRIFLUORIDE
    • 914225-53-9
    • 4-Bromo-3-chloro-5-(trifluoromethyl)nitrobenzene
    • Inchi: 1S/C7H2BrClF3NO2/c8-6-4(7(10,11)12)1-3(13(14)15)2-5(6)9/h1-2H
    • InChI Key: IONFQMMPFFGZFI-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 302.89095g/mol
  • Monoisotopic Mass: 302.89095g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 258
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 45.8?2

2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene Pricemore >>

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Additional information on 2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene

Comprehensive Overview of 2-Bromo-1-Chloro-5-Nitro-3-(Trifluoromethyl)Benzene (CAS No. 914225-53-9)

2-Bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene (CAS No. 914225-53-9) is a halogenated aromatic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring bromo, chloro, nitro, and trifluoromethyl functional groups, enables versatile reactivity in cross-coupling reactions, nucleophilic substitutions, and electrophilic aromatic substitutions. This compound has garnered significant attention in recent years due to its role in developing active pharmaceutical ingredients (APIs) and high-performance polymers.

In the context of green chemistry and sustainable synthesis, researchers are increasingly exploring eco-friendly methodologies to produce 2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene. Questions like "How to optimize the yield of CAS 914225-53-9 via catalytic processes?" or "What are the alternatives to traditional halogenation for this compound?" reflect current industry trends. The compound’s electron-withdrawing groups also make it a candidate for organic electronics, such as OLEDs and semiconductor materials, aligning with the growing demand for energy-efficient technologies.

The analytical characterization of 2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene typically involves techniques like HPLC, GC-MS, and NMR spectroscopy, ensuring high purity for critical applications. Recent publications highlight its use in pesticide formulation and dye synthesis, addressing global challenges in crop protection and textile innovation. For instance, its nitro group facilitates reduction reactions to form amino derivatives, a key step in creating azo dyes and biologically active molecules.

From a commercial perspective, suppliers often list CAS 914225-53-9 under descriptors such as "high-purity halogenated benzene derivatives" or "multifunctional aromatic building blocks." SEO-driven queries like "Where to buy 2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene?" or "Technical data sheet for 914225-53-9" underscore its industrial relevance. Storage recommendations emphasize protection from moisture and light, with stability data supporting long-term usability under controlled conditions.

Future research directions for 2-bromo-1-chloro-5-nitro-3-(trifluoromethyl)benzene may focus on catalytic C-H activation to streamline synthesis or its integration into metal-organic frameworks (MOFs) for gas storage applications. As regulatory frameworks evolve, compliance with REACH and FDA guidelines remains pivotal for manufacturers. This compound exemplifies how specialty chemicals drive innovation across sectors, from life sciences to materials engineering.

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