Cas no 4761-00-6 (2-(Bromomethyl)-1,3,5-trimethylbenzene)

2-(Bromomethyl)-1,3,5-trimethylbenzene is a brominated aromatic compound featuring a reactive bromomethyl group on a symmetrically substituted benzene ring. This structure makes it a valuable intermediate in organic synthesis, particularly for introducing the 1,3,5-trimethylbenzene moiety into more complex molecules. The bromomethyl group facilitates nucleophilic substitution reactions, enabling the formation of carbon-carbon or carbon-heteroatom bonds. Its high purity and stability under standard conditions ensure consistent performance in applications such as pharmaceuticals, agrochemicals, and material science. The compound’s well-defined reactivity and compatibility with various reaction conditions make it a preferred choice for researchers seeking reliable building blocks in synthetic chemistry.
2-(Bromomethyl)-1,3,5-trimethylbenzene structure
4761-00-6 structure
Product Name:2-(Bromomethyl)-1,3,5-trimethylbenzene
CAS No:4761-00-6
MF:C10H13Br
MW:213.114222288132
MDL:MFCD09056829
CID:333834
PubChem ID:233400
Update Time:2025-05-19

2-(Bromomethyl)-1,3,5-trimethylbenzene Chemical and Physical Properties

Names and Identifiers

    • 2-(Bromomethyl)-1,3,5-trimethylbenzene
    • 2,4,6-Trimethylbenzyl bromide
    • 2-Bromomethyl-1,3,5-trimethylbenzene
    • Benzene,2-(bromomethyl)-1,3,5-trimethyl-
    • : 2-(BROMOMETHYL)-1,3,5-TRIMETHYLBENZENE
    • 2-(Bromomethyl)mesitylene
    • Mesitylmethyl bromide
    • Mono(bromomethyl)mesitylene
    • NSC 31898
    • Benzene, 2-(bromomethyl)-1,3,5-trimethyl-
    • HIQNEJUMZTWMLW-UHFFFAOYSA-N
    • bromomethylmesitylene
    • NSC31898
    • PubChem22050
    • 2,4,6-Trimethylbenzylbromide
    • STL554170
    • BBL100376
    • AS04444
    • BC004711
    • AK122870
    • 2-(bromomethyl)-1,3,5-trimethyl-benzene
    • Benzene,2-(
    • EN300-55906
    • 4761-00-6
    • A872112
    • NSC-31898
    • AKOS005257915
    • s10850
    • DTXSID90283507
    • 2-(Bromomethyl)-1 pound not3 pound not5-trimethylbenzene
    • MFCD09056829
    • DS-6758
    • SCHEMBL585059
    • 2,4,6-(Trimethyl)benzylbromide
    • MDL: MFCD09056829
    • Inchi: 1S/C10H13Br/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3
    • InChI Key: HIQNEJUMZTWMLW-UHFFFAOYSA-N
    • SMILES: BrCC1C(C)=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 212.02000
  • Monoisotopic Mass: 212.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 110
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 3.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.270±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 50-52 oC
  • Boiling Point: 99-102 oC (2 Torr)
  • Flash Point: 113.2±11.8 oC,
  • Refractive Index: 1.549
  • Solubility: Insuluble (8.3E-3 g/L) (25 oC),
  • PSA: 0.00000
  • LogP: 3.50670
  • Vapor Pressure: No data available

2-(Bromomethyl)-1,3,5-trimethylbenzene Security Information

2-(Bromomethyl)-1,3,5-trimethylbenzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Additional information on 2-(Bromomethyl)-1,3,5-trimethylbenzene

2-(Bromomethyl)-1,3,5-Trimethylbenzene: A Comprehensive Overview

2-(Bromomethyl)-1,3,5-trimethylbenzene (CAS No. 4761-00-6) is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a bromomethyl group with a tri-substituted benzene ring. The molecule's symmetry and reactivity make it an interesting subject for both academic research and industrial applications.

The synthesis of 2-(bromomethyl)-1,3,5-trimethylbenzene involves several methodologies, including Friedel-Crafts alkylation and nucleophilic aromatic substitution. Recent advancements in catalytic systems have enabled more efficient and selective syntheses of this compound. For instance, researchers have explored the use of transition metal catalysts to enhance the regioselectivity of the alkylation process, which is crucial for producing high-purity samples.

One of the most notable applications of 2-(bromomethyl)-1,3,5-trimethylbenzene is in the field of polymer chemistry. The compound serves as a key building block for the synthesis of advanced polymers with tailored properties. For example, it has been used to create thermoresponsive polymers that exhibit phase transitions under specific temperature conditions. These materials have potential applications in drug delivery systems and smart textiles.

In materials science, 2-(bromomethyl)-1,3,5-trimethylbenzene has been employed as a precursor for the preparation of organometallic compounds. These compounds are valuable in catalysis and electronic materials. Recent studies have demonstrated that derivatives of this compound can act as efficient catalysts in olefin polymerization reactions, offering improved activity and selectivity compared to traditional catalysts.

The chemical stability and reactivity of 2-(bromomethyl)-1,3,5-trimethylbenzene make it an ideal candidate for use in organic synthesis. It is frequently utilized as an intermediate in the preparation of biologically active molecules. For instance, researchers have reported its use in the synthesis of antiviral agents and anticancer drugs. The compound's ability to undergo various nucleophilic substitutions and additions makes it a valuable tool in medicinal chemistry.

From an environmental perspective, understanding the degradation pathways of 2-(bromomethyl)-1,3,5-trimethylbenzene is crucial for assessing its impact on ecosystems. Recent studies have investigated the microbial degradation of this compound under anaerobic conditions. These findings suggest that certain bacteria can metabolize the compound into less harmful byproducts, providing insights into bioremediation strategies.

In conclusion, 2-(bromomethyl)-1,3,5-trimethylbenzene (CAS No. 4761-00-6) is a multifaceted compound with diverse applications across various scientific disciplines. Its unique chemical properties continue to inspire innovative research directions in polymer chemistry, catalysis, and medicinal chemistry. As new synthetic methods and applications emerge, this compound remains at the forefront of chemical innovation.

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