Cas no 69022-35-1 (3-amino-2-methylbenzonitrile)

3-amino-2-methylbenzonitrile structure
3-amino-2-methylbenzonitrile structure
Product Name:3-amino-2-methylbenzonitrile
CAS No:69022-35-1
MF:C8H8N2
MW:132.162521362305
CID:511461
PubChem ID:254842
Update Time:2025-04-23

3-amino-2-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,3-amino-2-methyl-
    • 3-amino-2-methylbenzonitrile
    • 3-amino-2-methyl-benzonitrile
    • 2-methyl-3-amino-benzonitrile
    • 3-Amino-2-methyl-benzonitril
    • 3-Amino-o-toluylsaeure-nitril
    • Benzonitrile,3-amino-2-methyl
    • Z1203578631
    • BSMSSOYMWIEQKH-UHFFFAOYSA-N
    • CS-0222873
    • SCHEMBL1379434
    • NSC-79490
    • NCIOpen2_000866
    • 69022-35-1
    • AS-35878
    • AKOS006338150
    • MFCD18389821
    • DTXSID40291990
    • EN300-112929
    • NSC79490
    • DS-007222
    • Inchi: 1S/C8H8N2/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,10H2,1H3
    • InChI Key: BSMSSOYMWIEQKH-UHFFFAOYSA-N
    • SMILES: NC1C=CC=C(C#N)C=1C

Computed Properties

  • Exact Mass: 132.06900
  • Monoisotopic Mass: 132.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 156
  • 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: 1.3
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • Density: 1.1
  • Boiling Point: 298.9°C at 760 mmHg
  • Flash Point: 134.6°C
  • Refractive Index: 1.575
  • PSA: 49.81000
  • LogP: 2.03008

3-amino-2-methylbenzonitrile Pricemore >>

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Additional information on 3-amino-2-methylbenzonitrile

Benzonitrile,3-amino-2-methyl- (CAS No. 69022-35-1): A Comprehensive Overview

Benzonitrile,3-amino-2-methyl- (CAS No. 69022-35-1) is a specialized organic compound that has garnered significant attention in the chemical and pharmaceutical industries. This compound, also known as 3-Amino-2-methylbenzonitrile, belongs to the benzonitrile family and is characterized by its unique molecular structure, which includes an amino group and a methyl group attached to a benzonitrile core. Its versatility and applicability in various fields make it a subject of interest for researchers and industry professionals alike.

The chemical formula of Benzonitrile,3-amino-2-methyl- is C8H8N2, and it has a molecular weight of 132.16 g/mol. The presence of both amino and nitrile functional groups in its structure allows it to participate in a wide range of chemical reactions, making it a valuable intermediate in organic synthesis. The compound is typically a white to off-white crystalline powder, soluble in organic solvents like ethanol and dimethyl sulfoxide (DMSO), but sparingly soluble in water.

One of the most notable applications of 3-Amino-2-methylbenzonitrile is in the pharmaceutical industry, where it serves as a key intermediate in the synthesis of various active pharmaceutical ingredients (APIs). Its structural features enable it to be incorporated into molecules with potential therapeutic effects, particularly in the development of drugs targeting neurological disorders and inflammatory conditions. Researchers are also exploring its use in the synthesis of agrochemicals, such as herbicides and fungicides, due to its ability to modify biological activity.

In recent years, the demand for Benzonitrile,3-amino-2-methyl- has increased, driven by the growing focus on precision medicine and sustainable agriculture. The compound's role in the development of novel drug candidates aligns with the current trend toward personalized healthcare, where tailored treatments are designed based on individual genetic profiles. Additionally, its potential applications in agrochemicals resonate with the global push for environmentally friendly farming practices, as it can contribute to the creation of more targeted and less toxic crop protection agents.

From a market perspective, 69022-35-1 is produced by several specialized chemical manufacturers worldwide. The compound is typically synthesized through multi-step organic reactions, including nitration, reduction, and cyanation processes. Quality control is paramount during production to ensure high purity and consistency, as impurities can significantly impact its performance in downstream applications. Analytical techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are commonly employed to verify the compound's identity and purity.

Environmental and safety considerations are also critical when handling 3-Amino-2-methylbenzonitrile. While the compound is not classified as highly hazardous, proper storage and handling procedures should be followed to minimize risks. It should be kept in a cool, dry place, away from direct sunlight and incompatible materials. Personal protective equipment (PPE), including gloves and safety goggles, is recommended when working with this chemical to prevent skin contact and inhalation of dust particles.

The future outlook for Benzonitrile,3-amino-2-methyl- appears promising, with ongoing research exploring its potential in new applications. For instance, scientists are investigating its use in materials science, particularly in the development of advanced polymers and coatings with enhanced properties. The compound's ability to act as a building block for more complex structures makes it a valuable asset in innovation-driven industries.

In conclusion, Benzonitrile,3-amino-2-methyl- (CAS No. 69022-35-1) is a multifaceted compound with significant industrial relevance. Its applications in pharmaceuticals, agrochemicals, and materials science highlight its versatility and potential for future growth. As research continues to uncover new uses for this compound, its importance in the chemical landscape is expected to rise, making it a key player in the development of next-generation technologies and solutions.

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