Cas no 215800-25-2 (2-(4-Bromo-3-methylphenyl)acetonitrile)

2-(4-Bromo-3-methylphenyl)acetonitrile is a versatile brominated aromatic nitrile compound with the molecular formula C9H8BrN. This white to off-white crystalline solid exhibits high purity (>98%) and stability under standard conditions, making it suitable for various synthetic applications. Its key structural features include a reactive nitrile group and a bromine substituent at the para position relative to the methyl group, enabling selective functionalization through cross-coupling reactions. The compound serves as a valuable intermediate in pharmaceutical synthesis, particularly for constructing complex heterocyclic systems. Its well-defined reactivity profile allows for efficient transformations in palladium-catalyzed reactions such as Suzuki-Miyaura couplings. The methyl group at the meta position provides additional steric and electronic modulation for tailored molecular design. Proper storage at 2-8°C ensures long-term stability.
2-(4-Bromo-3-methylphenyl)acetonitrile structure
215800-25-2 structure
Product Name:2-(4-Bromo-3-methylphenyl)acetonitrile
CAS No:215800-25-2
MF:C9H8BrN
MW:210.070521354675
MDL:MFCD14582921
CID:1015742
PubChem ID:18414309
Update Time:2025-07-02

2-(4-Bromo-3-methylphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Bromo-3-methylphenyl)acetonitrile
    • (4-bromo-3-methylphenyl)acetonitrile
    • ACMC-209flw
    • AK106548
    • ANW-24498
    • CTK8B1196
    • KB-222340
    • SureCN194947
    • SCHEMBL194947
    • AKOS016008637
    • 215800-25-2
    • SY059177
    • DB-364031
    • EN300-197797
    • Z1269136507
    • DTXSID30593556
    • OIBRFAUQTMYQLB-UHFFFAOYSA-N
    • AS-44889
    • AB8407
    • Benzeneacetonitrile, 4-bromo-3-methyl-
    • 4-Bromo-3-methylphenylacetonitrle
    • 4-Bromo-3-methylphenylacetonitrile
    • CS-0103705
    • 4-Bromo-3-methylbenzyl cyanide
    • MFCD14582921
    • MDL: MFCD14582921
    • Inchi: 1S/C9H8BrN/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6H,4H2,1H3
    • InChI Key: OIBRFAUQTMYQLB-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(CC#N)=CC=1C

Computed Properties

  • Exact Mass: 208.98400
  • Monoisotopic Mass: 208.98401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 170
  • 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: 2.6
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 2.82358

2-(4-Bromo-3-methylphenyl)acetonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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2-(4-Bromo-3-methylphenyl)acetonitrile Production Method

2-(4-Bromo-3-methylphenyl)acetonitrile Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:215800-25-2)2-(4-Bromo-3-methylphenyl)acetonitrile
Order Number:A939893
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:31
Price ($):175.0

Additional information on 2-(4-Bromo-3-methylphenyl)acetonitrile

Comprehensive Analysis of 2-(4-Bromo-3-methylphenyl)acetonitrile (CAS No. 215800-25-2): Properties, Applications, and Industry Insights

2-(4-Bromo-3-methylphenyl)acetonitrile (CAS No. 215800-25-2) is a specialized organic compound gaining traction in pharmaceutical intermediates and fine chemical synthesis. With the rising demand for brominated aromatic compounds in drug discovery, this nitrile derivative stands out due to its unique molecular structure, combining a 4-bromo-3-methylphenyl group with an acetonitrile moiety. Researchers and manufacturers are increasingly exploring its potential in high-value chemical synthesis, particularly in designing kinase inhibitors and agrochemical precursors.

The compound’s physicochemical properties include a molecular weight of 210.08 g/mol and a distinct bromine substitution pattern, which enhances its reactivity in cross-coupling reactions like Suzuki-Miyaura or Buchwald-Hartwig animations. Recent studies highlight its role in palladium-catalyzed reactions, a hot topic in green chemistry forums. As industries shift toward sustainable synthesis, 215800-25-2 is being evaluated for atom-efficient transformations, aligning with ESG (Environmental, Social, and Governance) trends in chemical manufacturing.

In the context of user search trends, queries such as "bromophenyl acetonitrile applications" or "CAS 215800-25-2 supplier" reflect growing commercial interest. Analytical techniques like HPLC purity testing and NMR characterization are frequently discussed in relation to this compound, underscoring its need for high-precision quality control. Furthermore, its stability under anhydrous conditions makes it a candidate for electrolyte additives in energy storage research—a nexus between organic chemistry and renewable energy innovations.

From a market perspective, the 4-bromo-3-methyl substitution pattern offers steric advantages in ligand design, attracting attention from catalysis developers. Patent filings reveal its utility in OLED material precursors, linking it to the booming display technology sector. Regulatory-wise, proper handling protocols for nitrile-containing compounds are emphasized, though it remains non-listed under stringent global hazardous substance regulations.

Future research directions may explore its bioconjugation potential or photocatalytic modifications, areas dominating academic search engine keywords. As synthetic methodologies evolve, 215800-25-2 exemplifies how tailored bromoarenes bridge gaps between small-molecule drugs and advanced material sciences—a narrative resonating with both industrial chemists and R&D investors.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:215800-25-2)2-(4-Bromo-3-methylphenyl)acetonitrile
A939893
Purity:99%
Quantity:25g
Price ($):175.0
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