Cas no 69849-08-7 (2-(2-chlorophenyl)-2-Methylpropanenitrile)

2-(2-Chlorophenyl)-2-methylpropanenitrile is a versatile organic compound characterized by its nitrile functional group and chlorophenyl substituent. This structure imparts reactivity suitable for applications in pharmaceutical intermediates, agrochemical synthesis, and specialty chemical manufacturing. The presence of both the chlorophenyl and nitrile groups enhances its utility in nucleophilic substitution and cyclization reactions. Its stable yet modifiable framework allows for precise functionalization, making it valuable in constructing complex molecular architectures. The compound's purity and consistent performance ensure reliability in research and industrial processes. Proper handling and storage are recommended due to its potential sensitivity to moisture and reactive conditions.
2-(2-chlorophenyl)-2-Methylpropanenitrile structure
69849-08-7 structure
Product Name:2-(2-chlorophenyl)-2-Methylpropanenitrile
CAS No:69849-08-7
MF:C10H10ClN
MW:179.646101474762
MDL:MFCD11036574
CID:3029416
PubChem ID:9815403
Update Time:2025-11-02

2-(2-chlorophenyl)-2-Methylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2-chlorophenyl)-2-Methylpropanenitrile
    • 2-(2-Chlorophenyl)-2-methylpropannitril; 2'-chlorophenyl-2-methylpropionitrile; 2-(2-chloro-phenyl)-2-methyl-propionitrile; 2-(2-Chlor-phenyl)-2-methyl-propionitril; 2-(2-Chloro-phenyl)-2-methyl-propionitrile; 2-(2-chlorophenyl)-2-methylpropionitrile; ; 2-(2-CHLOROPHENYL)-2-METHYLPROPANENITRILE
    • 69849-08-7
    • AKOS011055381
    • CS-0060021
    • AS-65116
    • EN300-139626
    • OLLIGTNPTVJPAX-UHFFFAOYSA-N
    • A12772
    • Z858030358
    • SCHEMBL1605524
    • UCA84908
    • 962-968-9
    • MDL: MFCD11036574
    • Inchi: 1S/C10H10ClN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3
    • InChI Key: OLLIGTNPTVJPAX-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1C(C#N)(C)C

Computed Properties

  • Exact Mass: 179.05000
  • Monoisotopic Mass: 179.0501770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 201
  • 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: 3.2
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 3.14118

2-(2-chlorophenyl)-2-Methylpropanenitrile Pricemore >>

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Additional information on 2-(2-chlorophenyl)-2-Methylpropanenitrile

Comprehensive Guide to 2-(2-Chlorophenyl)-2-Methylpropanenitrile (CAS No. 69849-08-7): Properties, Applications, and Market Insights

2-(2-Chlorophenyl)-2-Methylpropanenitrile (CAS No. 69849-08-7) is a specialized organic compound with a molecular formula of C10H10ClN. This nitrile derivative features a chlorophenyl group attached to a methylpropanenitrile backbone, making it a valuable intermediate in various chemical syntheses. Its unique structure contributes to its versatility in pharmaceutical and agrochemical applications, where it serves as a precursor for more complex molecules.

The compound's physical and chemical properties include a molecular weight of 179.64 g/mol, typically appearing as a colorless to pale yellow liquid at room temperature. Its nitrile functional group (-C≡N) provides reactivity that is exploited in numerous synthetic pathways. Researchers value 2-(2-Chlorophenyl)-2-Methylpropanenitrile for its stability under standard conditions and its ability to participate in various organic reactions, including nucleophilic substitutions and cyclizations.

In the pharmaceutical industry, 2-(2-Chlorophenyl)-2-Methylpropanenitrile has gained attention as a building block for active pharmaceutical ingredients (APIs). Recent studies highlight its potential in developing novel central nervous system (CNS) drugs, particularly those targeting neurological disorders. The compound's chlorophenyl moiety contributes to lipophilicity, which can enhance blood-brain barrier penetration—a critical factor in CNS drug development.

The agrochemical sector utilizes 69849-08-7 in the synthesis of advanced crop protection agents. With growing global concerns about food security and sustainable agriculture, researchers are exploring its derivatives as potential eco-friendly pesticides. The compound's structural features allow for modifications that can improve selectivity and reduce environmental impact compared to traditional agrochemicals.

From a market perspective, demand for 2-(2-Chlorophenyl)-2-Methylpropanenitrile has shown steady growth, particularly in Asia-Pacific regions where pharmaceutical and agrochemical production is expanding. Manufacturers are investing in improved synthesis methods to enhance yield and purity, responding to the industry's need for high-quality intermediates. The global market is projected to grow at a CAGR of 5-7% over the next five years, driven by increasing R&D activities.

Environmental and regulatory considerations for 69849-08-7 are becoming increasingly important. While the compound itself isn't classified as hazardous under current regulations, its handling requires standard laboratory precautions. The industry is moving toward green chemistry principles in its production, exploring catalytic processes and solvent reduction to minimize environmental impact.

Recent scientific advancements have revealed new potential applications for 2-(2-Chlorophenyl)-2-Methylpropanenitrile in material science. Researchers are investigating its use as a precursor for advanced polymers with specific optical or electronic properties. These developments align with current interests in smart materials and sustainable technologies, making the compound relevant to cutting-edge research areas.

Quality control of 2-(2-Chlorophenyl)-2-Methylpropanenitrile typically involves analytical techniques such as HPLC (High-Performance Liquid Chromatography) and GC-MS (Gas Chromatography-Mass Spectrometry). Purity standards vary by application, with pharmaceutical-grade material requiring ≥99% purity. Suppliers often provide detailed certificates of analysis to meet industry requirements and ensure batch-to-batch consistency.

The synthesis of 69849-08-7 generally involves arylation reactions of appropriate precursors, followed by purification steps. Process optimization has focused on reducing byproducts and improving atom economy, reflecting the chemical industry's shift toward sustainable manufacturing practices. Recent patents have disclosed innovative routes that improve yield while reducing energy consumption.

For researchers working with 2-(2-Chlorophenyl)-2-Methylpropanenitrile, proper storage conditions are essential to maintain stability. Recommendations typically include storage in airtight containers under inert atmosphere at controlled temperatures. These precautions help prevent degradation and maintain the compound's reactivity for subsequent synthetic steps.

The future outlook for 2-(2-Chlorophenyl)-2-Methylpropanenitrile appears promising, with potential expansions into bioconjugation chemistry and drug delivery systems. As the pharmaceutical industry continues to explore targeted therapies, the compound's modifiable structure positions it as a valuable tool for medicinal chemists. Its applications in specialty chemicals are also expected to grow, particularly in high-value niche markets.

In conclusion, 2-(2-Chlorophenyl)-2-Methylpropanenitrile (CAS No. 69849-08-7) represents an important chemical intermediate with diverse applications across multiple industries. Its unique combination of a chlorinated aromatic ring and nitrile functionality provides numerous opportunities for chemical derivatization. As research continues to uncover new uses and improved synthetic methods, this compound is likely to maintain its relevance in both established and emerging chemical applications.

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