Cas no 5955-73-7 (2-Methylbenzoyl cyanide)

2-Methylbenzoyl cyanide structure
2-Methylbenzoyl cyanide structure
Product Name:2-Methylbenzoyl cyanide
CAS No:5955-73-7
MF:C9H7NO
MW:145.157982110977
CID:367003
PubChem ID:9833990
Update Time:2025-07-21

2-Methylbenzoyl cyanide Chemical and Physical Properties

Names and Identifiers

    • 2-Methylbenzoyl cyanide
    • OXO-O-TOLYL-ACETONITRILE
    • 2-methyl phenyl glyoxylonitrile
    • Benzeneacetonitrile, 2-Methyl-a-oxo-
    • 2-(2-methylphenyl)-2-oxoacetonitrile
    • 2-oxo-(o-tolyl)acetonitrile
    • AB1507
    • Benzeneacetonitrile,2-methyl-a-oxo
    • o-methylbenzoyl cyanide
    • o-Methylbenzoylnitril
    • ortho-toluyl cyanide
    • o-toluoyl cyanide
    • o-tolyl-glyoxylonitrile
    • WYXWANVHOUGOBI-UHFFFAOYSA
    • 5955-73-7
    • CS-0311850
    • SCHEMBL3675034
    • 2-METHYLBENZOYLCYANIDE
    • DTXSID10431427
    • AKOS006293383
    • FT-0653875
    • A832365
    • MFCD06658474
    • InChI=1/C9H7NO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,1H3
    • WYXWANVHOUGOBI-UHFFFAOYSA-
    • WYXWANVHOUGOBI-UHFFFAOYSA-N
    • SB37850
    • (2-methylphenyl)(oxo)acetonitrile
    • DB-021374
    • MDL: MFCD06658474
    • Inchi: 1S/C9H7NO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,1H3
    • InChI Key: WYXWANVHOUGOBI-UHFFFAOYSA-N
    • SMILES: O=C(C#N)C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 145.05300
  • Monoisotopic Mass: 145.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • 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: 2.5
  • Topological Polar Surface Area: 40.9A^2

Experimental Properties

  • Density: 1.111
  • Boiling Point: 239.226°C at 760 mmHg
  • Flash Point: 98.481°C
  • Refractive Index: 1.541
  • PSA: 40.86000
  • LogP: 1.70128

2-Methylbenzoyl cyanide 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-Methylbenzoyl cyanide Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:5955-73-7)2-METHYLBENZOYL CYANIDE
Order Number:sfd8150
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:5955-73-7)2-METHYLBENZOYL CYANIDE
Order Number:LE8978
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:00
Price ($):discuss personally

2-Methylbenzoyl cyanide Related Literature

Additional information on 2-Methylbenzoyl cyanide

Professional Introduction to 2-Methylbenzoyl Cyanide (CAS No. 5955-73-7)

2-Methylbenzoyl cyanide, identified by the chemical compound code CAS No. 5955-73-7, is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, characterized by its unique molecular structure, serves as a crucial intermediate in the synthesis of various pharmacologically active molecules. Its applications span across multiple domains, including medicinal chemistry, agrochemicals, and material science, making it a subject of extensive study and innovation.

The molecular formula of 2-Methylbenzoyl cyanide is C9H7NO, reflecting its composition of carbon, hydrogen, nitrogen, and oxygen atoms. The presence of a cyano group (-CN) and an acyl moiety (-CO-) attached to a methyl-substituted benzene ring imparts distinct reactivity and functional properties to the compound. These features make it a valuable building block for the development of more complex molecules with tailored biological activities.

In recent years, the pharmaceutical industry has witnessed a surge in the exploration of heterocyclic compounds derived from benzoyl cyanides. Among these, 2-Methylbenzoyl cyanide has been extensively studied for its potential in designing novel therapeutic agents. Researchers have leveraged its structural framework to develop compounds with anti-inflammatory, analgesic, and antimicrobial properties. The compound's ability to undergo various chemical transformations, such as nucleophilic addition and condensation reactions, further enhances its utility in synthetic chemistry.

One of the most compelling aspects of 2-Methylbenzoyl cyanide is its role in the synthesis of bioactive molecules targeting specific biological pathways. For instance, studies have demonstrated its utility in generating derivatives that interact with enzymes and receptors involved in metabolic disorders and neurological conditions. The cyano group's electrophilic nature allows for facile functionalization, enabling chemists to modify the compound's pharmacokinetic profile and enhance its therapeutic efficacy.

The agrochemical sector has also benefited from the applications of 2-Methylbenzoyl cyanide. Its derivatives have been explored as potential intermediates in the development of novel pesticides and herbicides. These compounds exhibit selective toxicity towards certain pests while minimizing harm to non-target organisms. This specificity is crucial for sustainable agriculture practices, where environmental impact is a significant concern.

Advances in computational chemistry have further accelerated the study of 2-Methylbenzoyl cyanide. Molecular modeling techniques allow researchers to predict the compound's behavior under various conditions, aiding in the rational design of new derivatives. Additionally, high-throughput screening methods have enabled rapid identification of promising candidates for further optimization. These technological advancements have significantly reduced the time and resources required for drug discovery processes.

The safety profile of CAS No. 5955-73-7, or 2-Methylbenzoyl cyanide, is another critical consideration in its application. While the compound itself is not classified as hazardous under standard conditions, proper handling protocols must be followed to ensure worker safety. Storage in cool, dry environments away from incompatible substances is recommended to maintain stability and prevent degradation.

In conclusion, 2-Methylbenzoyl cyanide represents a versatile and indispensable compound in modern chemical research. Its unique structural features and reactivity make it a valuable tool for developing novel pharmaceuticals and agrochemicals. As research continues to uncover new applications and synthetic pathways, the significance of this compound is expected to grow further. The ongoing exploration of its derivatives promises to yield innovative solutions across multiple scientific disciplines.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:5955-73-7)2-METHYLBENZOYL CYANIDE
sfd8150
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:5955-73-7)2-METHYLBENZOYL CYANIDE
LE8978
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email