Cas no 27387-23-1 (2-(2-Bromo-5-methoxyphenyl)acetonitrile)

2-(2-Bromo-5-methoxyphenyl)acetonitrile structure
27387-23-1 structure
Product Name:2-(2-Bromo-5-methoxyphenyl)acetonitrile
CAS No:27387-23-1
MF:C9H8BrNO
MW:226.06992149353
MDL:MFCD09927439
CID:1040878
PubChem ID:639666
Update Time:2025-07-18

2-(2-Bromo-5-methoxyphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Bromo-5-methoxyphenyl)acetonitrile
    • benzeneacetonitrile, 2-bromo-5-methoxy-
    • (2-Bromo-5-methoxy-phenyl)-acetonitrile
    • AK103159
    • (2-bromo-5-methoxyphenyl)acetonitrile
    • VSSZEBGUCILFSV-UHFFFAOYSA-N
    • 5-methoxy-2-bromophenylacetonitrile
    • 2-Bromo-5-methoxybenzeneacetonitrile
    • FCH5352430
    • ST2403827
    • AX8234698
    • 2-Bromo-5-methoxybenzyl cyanide
    • 27387-23-1
    • MFCD09927439
    • DB-337510
    • DTXSID50348661
    • CS-0041927
    • DS-4028
    • InChI=1/C9H8BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H
    • SCHEMBL898226
    • EN300-1893516
    • AKOS014658768
    • MDL: MFCD09927439
    • Inchi: 1S/C9H8BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H3
    • InChI Key: VSSZEBGUCILFSV-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C=C1CC#N)OC

Computed Properties

  • Exact Mass: 224.97893g/mol
  • Monoisotopic Mass: 224.97893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 33
  • XLogP3: 2.2

2-(2-Bromo-5-methoxyphenyl)acetonitrile Pricemore >>

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Additional information on 2-(2-Bromo-5-methoxyphenyl)acetonitrile

Comprehensive Overview of 2-(2-Bromo-5-methoxyphenyl)acetonitrile (CAS No. 27387-23-1)

2-(2-Bromo-5-methoxyphenyl)acetonitrile (CAS No. 27387-23-1) is a versatile organic compound widely utilized in pharmaceutical and agrochemical research. Its molecular structure, featuring a bromine substituent and a methoxy group, makes it a valuable intermediate in synthetic chemistry. Researchers often search for "2-(2-Bromo-5-methoxyphenyl)acetonitrile synthesis" or "CAS 27387-23-1 applications," reflecting its significance in modern organic synthesis.

The compound's unique properties, such as its nitrile functional group, enable its use in constructing complex molecules. Recent trends highlight its role in developing biodegradable materials and green chemistry initiatives, aligning with global sustainability goals. Queries like "eco-friendly nitrile derivatives" or "2-(2-Bromo-5-methoxyphenyl)acetonitrile solubility" demonstrate growing interest in its environmental compatibility.

From a technical perspective, 2-(2-Bromo-5-methoxyphenyl)acetonitrile exhibits notable stability under standard conditions, making it suitable for diverse laboratory applications. Its melting point and molecular weight are frequently searched parameters, underscoring the need for precise physicochemical data. Analytical techniques like HPLC and NMR are commonly employed to characterize this compound, as evidenced by searches for "CAS 27387-23-1 NMR spectrum."

In pharmaceutical contexts, this compound serves as a precursor for heterocyclic compounds with potential biological activity. The rise of "drug discovery intermediates" as a search term correlates with increased research into its medicinal chemistry applications. Its bromo-substituted aromatic structure particularly interests researchers exploring kinase inhibitors and antiviral agents.

The agrochemical industry also benefits from 2-(2-Bromo-5-methoxyphenyl)acetonitrile, where it contributes to developing novel crop protection agents. With growing concerns about food security, searches for "agrochemical building blocks" have surged, highlighting this compound's relevance. Its methoxy group enhances bioavailability in plant systems, a feature increasingly important in precision agriculture formulations.

Quality control remains paramount when working with CAS 27387-23-1, as evidenced by frequent searches for "2-(2-Bromo-5-methoxyphenyl)acetonitrile purity standards." Reputable suppliers typically provide comprehensive certificates of analysis, including data on residual solvents and heavy metal content. These parameters are crucial for researchers requiring high-grade materials for sensitive applications.

Storage and handling recommendations for 2-(2-Bromo-5-methoxyphenyl)acetonitrile often appear in search queries, reflecting proper laboratory practices. While not classified as hazardous under normal conditions, appropriate chemical storage protocols should be followed. The compound's shelf life and stability under various conditions are common concerns among purchasers.

Recent advancements in flow chemistry have opened new possibilities for utilizing 2-(2-Bromo-5-methoxyphenyl)acetonitrile in continuous manufacturing processes. This aligns with industry 4.0 trends and the pharmaceutical sector's push toward process intensification. Searches for "continuous flow synthesis of bromoaromatics" demonstrate this evolving application.

From a regulatory standpoint, CAS 27387-23-1 is not currently subject to significant restrictions, making it accessible for research purposes worldwide. However, researchers should always consult the latest chemical regulations and REACH compliance information, as legislative landscapes frequently change. The absence of "controlled substance" classifications in search patterns confirms its broad availability.

The future research potential of 2-(2-Bromo-5-methoxyphenyl)acetonitrile appears promising, particularly in emerging fields like materials science and nanotechnology. Its aromatic structure and functional groups make it a candidate for developing organic electronic materials and molecular sensors. These applications correspond with increasing searches for "functionalized aromatics for materials" in scientific databases.

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