Cas no 1134559-00-4 (1-Bromo-2-(chloromethyl)-4-nitrobenzene)

1-Bromo-2-(chloromethyl)-4-nitrobenzene is a halogenated aromatic compound featuring reactive bromo, chloromethyl, and nitro functional groups. Its structural properties make it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of multiple electrophilic sites allows for selective functionalization, enabling diverse derivatization pathways. The nitro group enhances reactivity in substitution reactions, while the chloromethyl and bromo substituents facilitate further cross-coupling or nucleophilic displacement. This compound is typically handled under controlled conditions due to its reactivity. Its high purity and well-defined structure ensure consistent performance in synthetic applications.
1-Bromo-2-(chloromethyl)-4-nitrobenzene structure
1134559-00-4 structure
Product Name:1-Bromo-2-(chloromethyl)-4-nitrobenzene
CAS No:1134559-00-4
MF:C7H5BrClNO2
MW:250.477100133896
CID:4572389
Update Time:2025-11-02

1-Bromo-2-(chloromethyl)-4-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-2-(chloromethyl)-4-nitrobenzene
    • 2-Bromo-5-nitrobenzyl chloride
    • 1-Bromo-2-chloromethyl-4-nitrobenzene
    • 1-Bromo-2-(chloromethyl)-4-nitrobenzene
    • Inchi: 1S/C7H5BrClNO2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,4H2
    • InChI Key: NPCZJYAWKFYBNA-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C=C1CCl)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 173
  • XLogP3: 2.8
  • Topological Polar Surface Area: 45.8

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Additional information on 1-Bromo-2-(chloromethyl)-4-nitrobenzene

1-Bromo-2-(chloromethyl)-4-nitrobenzene (CAS No. 1134559-00-4): Properties, Applications, and Market Insights

1-Bromo-2-(chloromethyl)-4-nitrobenzene (CAS No. 1134559-00-4) is a specialized aromatic compound with significant relevance in organic synthesis and pharmaceutical intermediates. This compound, characterized by its bromine, chloromethyl, and nitro functional groups, offers unique reactivity patterns that make it valuable for constructing complex molecular frameworks. Researchers and industries frequently search for 1-Bromo-2-(chloromethyl)-4-nitrobenzene suppliers or synthesis methods, reflecting its growing demand in niche applications.

The molecular structure of 1-Bromo-2-(chloromethyl)-4-nitrobenzene enables diverse chemical transformations, particularly in cross-coupling reactions and nucleophilic substitutions. Its nitro group can be reduced to an amine, while the chloromethyl and bromo substituents serve as excellent leaving groups for further derivatization. Such versatility aligns with trending topics like green chemistry and sustainable synthesis, as scientists explore eco-friendly routes to modify this compound.

In the pharmaceutical sector, 1-Bromo-2-(chloromethyl)-4-nitrobenzene is often investigated as a precursor for drug discovery and biologically active molecules. Its structural motifs appear in compounds targeting inflammation and microbial infections, resonating with current global health priorities. Searches for 1-Bromo-2-(chloromethyl)-4-nitrobenzene applications in medicine have surged, reflecting interest in its potential therapeutic roles.

The compound’s synthesis typically involves electrophilic aromatic substitution or side-chain halogenation of nitrobenzene derivatives. Optimizing these processes is a hot topic in process chemistry forums, where professionals discuss yield improvement and cost-effective production. Analytical techniques like HPLC and NMR are critical for verifying the purity of CAS 1134559-00-4, ensuring compliance with industry standards.

Market trends indicate rising demand for 1-Bromo-2-(chloromethyl)-4-nitrobenzene in regions with robust pharmaceutical and agrochemical industries. Suppliers emphasizing high-purity grades or custom synthesis services often rank prominently in search results. Environmental and regulatory considerations also drive queries about safe handling and storage guidelines for this compound.

In academic research, 1-Bromo-2-(chloromethyl)-4-nitrobenzene is frequently cited in studies on heterocyclic chemistry and material science. Its utility in creating functionalized polymers or ligands for catalysis aligns with innovations in renewable energy and electronics. Researchers exploring CAS 1134559-00-4 reaction mechanisms contribute to a deeper understanding of its kinetic and thermodynamic properties.

To address common search queries, here are key facts: 1-Bromo-2-(chloromethyl)-4-nitrobenzene has a molecular weight of 250.48 g/mol and appears as a light-yellow crystalline solid. Its solubility in organic solvents like dichloromethane and ethanol facilitates laboratory use. Stability under inert conditions makes it suitable for long-term storage, though moisture-sensitive precautions apply.

Future prospects for 1134559-00-4 include expanded roles in click chemistry and bioconjugation, areas gaining traction in diagnostics and biotech. As synthetic methodologies advance, this compound’s accessibility and application scope are expected to grow, reinforcing its status as a versatile building block in modern chemistry.

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