Cas no 4960-48-9 (2-(bromomethyl)-1,3,4-trichlorobenzene)

2-(Bromomethyl)-1,3,4-trichlorobenzene is a halogenated aromatic compound featuring a bromomethyl substituent at the 2-position and chlorine atoms at the 1, 3, and 4 positions. This structure makes it a versatile intermediate in organic synthesis, particularly for cross-coupling reactions and further functionalization. The presence of both bromine and chlorine groups enhances its reactivity, allowing selective modifications under controlled conditions. It is commonly employed in the preparation of agrochemicals, pharmaceuticals, and specialty chemicals. The compound's stability under standard storage conditions and well-defined reactivity profile contribute to its utility in research and industrial applications. Proper handling is advised due to its halogenated nature.
2-(bromomethyl)-1,3,4-trichlorobenzene structure
4960-48-9 structure
Product Name:2-(bromomethyl)-1,3,4-trichlorobenzene
CAS No:4960-48-9
MF:C7H4BrCl3
MW:274.369658470154
MDL:MFCD06658947
CID:333371
PubChem ID:78662
Update Time:2025-10-29

2-(bromomethyl)-1,3,4-trichlorobenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,2-(bromomethyl)-1,3,4-trichloro-
    • 2-(bromomethyl)-1,3,4-trichlorobenzene
    • 2,3,6-Trichlorobenzyl bromide
    • 2,3,6-Trichlor-benzylbromid
    • EINECS 225-602-2
    • DTXSID40197928
    • URKUOLGHTOGYJL-UHFFFAOYSA-N
    • NSC-166426
    • NS00031916
    • NSC166426
    • EN300-23313372
    • SCHEMBL859436
    • NSC 166426
    • 4960-48-9
    • MDL： MFCD06658947
    • Inchi： 1S/C7H4BrCl3/c8-3-4-5(9)1-2-6(10)7(4)11/h1-2H,3H2
    • InChI Key： URKUOLGHTOGYJL-UHFFFAOYSA-N
    • SMILES： BrCC1C(=CC=C(C=1Cl)Cl)Cl

Computed Properties

  • Exact Mass: 271.85600
  • Monoisotopic Mass: 271.856
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 131
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: White crystals
  • Density: 1.772
  • Boiling Point: 291.6°C at 760 mmHg
  • Flash Point: 146.8°C
  • Refractive Index: 1.608
  • PSA: 0.00000
  • LogP: 4.54170
  • Solubility: Not determined

2-(bromomethyl)-1,3,4-trichlorobenzene Security Information

2-(bromomethyl)-1,3,4-trichlorobenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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 4960-48-9 97%
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Alichem
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 4960-48-9 95%
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 $499.0 2023-09-15
Enamine
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Enamine
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Enamine
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Enamine
EN300-23313372-0.25g
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Enamine
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2-(bromomethyl)-1,3,4-trichlorobenzene Related Literature

Additional information on 2-(bromomethyl)-1,3,4-trichlorobenzene

Comprehensive Overview of 2-(Bromomethyl)-1,3,4-trichlorobenzene (CAS No. 4960-48-9)

2-(Bromomethyl)-1,3,4-trichlorobenzene (CAS No. 4960-48-9) is a halogenated aromatic compound widely utilized in organic synthesis and industrial applications. Its unique molecular structure, featuring a bromomethyl group and three chlorine atoms on a benzene ring, makes it a versatile intermediate for pharmaceuticals, agrochemicals, and specialty chemicals. The compound’s CAS number 4960-48-9 is frequently searched in chemical databases, reflecting its relevance in research and development.

In recent years, the demand for halogenated benzene derivatives like 2-(bromomethyl)-1,3,4-trichlorobenzene has surged due to their role in synthesizing advanced materials. Researchers and manufacturers often inquire about its synthesis methods, physical properties, and safety data. The compound’s melting point, solubility, and stability are critical parameters for industrial applications, particularly in fine chemical production.

Environmental and regulatory concerns have also driven interest in sustainable alternatives to traditional halogenated compounds. While 4960-48-9 remains valuable, innovations in green chemistry aim to reduce its ecological footprint. Users frequently search for biodegradable substitutes or catalytic processes to minimize waste, aligning with global sustainability goals.

The compound’s spectroscopic data (e.g., NMR, IR) is another hot topic, as analytical chemists rely on these details for quality control. Online forums and scientific platforms often discuss its reaction mechanisms, particularly in cross-coupling reactions or nucleophilic substitutions. These discussions highlight its utility in constructing complex molecular architectures.

From a commercial perspective, suppliers of 2-(bromomethyl)-1,3,4-trichlorobenzene emphasize its purity grades and packaging options to meet diverse client needs. Bulk purchasers prioritize cost-effectiveness and supply chain reliability, while academic users focus on small-scale availability for experimental work.

In summary, CAS No. 4960-48-9 exemplifies the intersection of chemistry and industry. Its applications span material science, pharmaceutical intermediates, and agrochemical formulations, making it a subject of ongoing research and commercial interest. As the field evolves, so too will the methodologies and ethical considerations surrounding its use.

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