Cas no 112299-62-4 (1-Bromo-3-(bromomethyl)-2-methylbenzene)

1-Bromo-3-(bromomethyl)-2-methylbenzene is a brominated aromatic compound with a molecular formula of C?H?Br?. It features both a bromomethyl and a bromo substituent on a methyl-substituted benzene ring, making it a versatile intermediate in organic synthesis. The compound is particularly useful in cross-coupling reactions, nucleophilic substitutions, and as a precursor for pharmaceuticals, agrochemicals, and specialty materials. Its dual reactive sites allow for selective functionalization, enabling the synthesis of complex derivatives. The high purity and stability of this compound ensure reliable performance in demanding synthetic applications. Proper handling is required due to its reactivity and potential hazards.
1-Bromo-3-(bromomethyl)-2-methylbenzene structure
112299-62-4 structure
Product Name:1-Bromo-3-(bromomethyl)-2-methylbenzene
CAS No:112299-62-4
MF:C8H8Br2
MW:263.957120895386
MDL:MFCD11847532
CID:821287
PubChem ID:22672648
Update Time:2025-05-20

1-Bromo-3-(bromomethyl)-2-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-3-(bromomethyl)-2-methylbenzene
    • 2-Brom-6-brommethyl-toluol
    • 2-Brom-6-brommmethyl-toluol
    • 2-bromo-6-bromomethyltoluene
    • 3-bromo-2-methylbenzylbromide
    • 1-Bromo-2-methyl-3-(bromomethyl)benzene
    • Benzene, 1-bromo-3-(bromomethyl)-2-methyl-
    • 1-Bromo-3-(bromomethyl)-2-methylbenzene, alpha,3-Dibromo-o-xylene
    • 3-bromo-2-methylbenzyl bromide
    • XVLACHXVYBTTPW-UHFFFAOYSA-N
    • BCP26778
    • 2160AA
    • NE23886
    • AB0052081
    • 3-Bromo-2-methylbenzylbromide97%
    • 3-Bromo-2-methylbenzyl bromide 97%
    • CS-0254834
    • DTXSID70627485
    • AS-36608
    • AKOS005145954
    • 112299-62-4
    • EN300-121065
    • SCHEMBL149686
    • MFCD11847532
    • DB-019068
    • 1-Bromo-3-(bromomethyl)-2-methylbenzene
    • MDL: MFCD11847532
    • Inchi: 1S/C8H8Br2/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3
    • InChI Key: XVLACHXVYBTTPW-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(CBr)=C1C

Computed Properties

  • Exact Mass: 261.89900
  • Monoisotopic Mass: 261.89928g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 103
  • 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: 3.5

Experimental Properties

  • Density: 1.743
  • Melting Point: 31-32 oC
  • Boiling Point: 279 oC
  • Flash Point: 139 oC
  • PSA: 0.00000
  • LogP: 3.65240

1-Bromo-3-(bromomethyl)-2-methylbenzene Security Information

1-Bromo-3-(bromomethyl)-2-methylbenzene 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%

1-Bromo-3-(bromomethyl)-2-methylbenzene Pricemore >>

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1-Bromo-3-(bromomethyl)-2-methylbenzene Production Method

1-Bromo-3-(bromomethyl)-2-methylbenzene Related Literature

Additional information on 1-Bromo-3-(bromomethyl)-2-methylbenzene

Introduction to 1-Bromo-3-(bromomethyl)-2-methylbenzene (CAS No. 112299-62-4)

1-Bromo-3-(bromomethyl)-2-methylbenzene, also known by its CAS number 112299-62-4, is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceutical research, and materials science. This compound is characterized by its unique brominated structure, which confers it with a range of chemical properties that make it a valuable intermediate in various synthetic pathways.

The molecular formula of 1-Bromo-3-(bromomethyl)-2-methylbenzene is C9H10Br2. Its molecular weight is 254.98 g/mol, and it exists as a colorless to pale yellow liquid at room temperature. The compound's bromine substituents play a crucial role in its reactivity and functionalization potential, making it an attractive starting material for the synthesis of more complex molecules.

In the realm of organic synthesis, 1-Bromo-3-(bromomethyl)-2-methylbenzene has been utilized in the development of novel synthetic methods and strategies. Recent studies have explored its use in cross-coupling reactions, such as Suzuki-Miyaura coupling and Heck coupling, which are fundamental techniques for constructing carbon-carbon bonds. These reactions are essential in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

A notable application of 1-Bromo-3-(bromomethyl)-2-methylbenzene is in the synthesis of bioactive compounds. For instance, researchers have employed this compound as a key intermediate in the preparation of potential drug candidates for various therapeutic areas. One such example is its use in the synthesis of compounds with anti-inflammatory and anti-cancer properties. The brominated structure allows for targeted modifications that can enhance the biological activity and selectivity of the final products.

Beyond pharmaceutical applications, 1-Bromo-3-(bromomethyl)-2-methylbenzene has also found utility in materials science. Its unique chemical properties make it suitable for the synthesis of functional polymers and other advanced materials. For instance, it can be used to create polymers with tailored properties for applications in electronics, coatings, and adhesives. The ability to introduce bromine functionalities into polymer chains opens up new possibilities for designing materials with enhanced performance characteristics.

The safety and handling of 1-Bromo-3-(bromomethyl)-2-methylbenzene are important considerations for researchers and industrial users. While it is not classified as a hazardous substance under current regulations, proper precautions should be taken to ensure safe handling and storage. This includes using appropriate personal protective equipment (PPE) and following standard laboratory practices to minimize exposure risks.

In conclusion, 1-Bromo-3-(bromomethyl)-2-methylbenzene (CAS No. 112299-62-4) is a valuable compound with a wide range of applications in organic synthesis, pharmaceutical research, and materials science. Its unique chemical structure and reactivity make it an essential building block for the development of novel compounds and materials. Ongoing research continues to uncover new uses and potential applications for this versatile compound, further solidifying its importance in the scientific community.

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