Cas no 68429-53-8 (2,4-Dimethylphenylacetonitrile)

2,4-Dimethylphenylacetonitrile is an organic compound with the molecular formula C10H11N, featuring a benzonitrile core substituted with two methyl groups at the 2- and 4-positions. This nitrile derivative is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural properties, including the electron-withdrawing nitrile group and steric influence of the methyl substituents, make it valuable for constructing complex molecular frameworks. The compound exhibits good stability under standard conditions and is compatible with various reaction conditions, enabling versatile applications in fine chemical manufacturing. Proper handling is recommended due to its potential toxicity and irritant properties.
2,4-Dimethylphenylacetonitrile structure
68429-53-8 structure
Product Name:2,4-Dimethylphenylacetonitrile
CAS No:68429-53-8
MF:C10H11N
MW:145.201042413712
MDL:MFCD00060298
CID:518616
PubChem ID:144303
Update Time:2025-05-20

2,4-Dimethylphenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,2,4-dimethyl-
    • 2,4-dimethylBenzeneacetonitrile
    • 2,4-Dimethylphenylacetonitrile
    • 2-(2,4-dimethylphenyl)acetonitrile
    • OOWISQLTVOZJJI-UHFFFAOYSA-N
    • 2,4-Dimethylbenzylcyanide
    • 2,4-dimethylbenzyl cyanide
    • (2,4-dimethylphenyl)acetonitrile
    • FCH920437
    • 8114AE
    • VZ34392
    • FT-0682163
    • AS-61650
    • DTXSID40218546
    • CS-0319575
    • D93274
    • MFCD00060298
    • AKOS006343936
    • SCHEMBL1822997
    • 68429-53-8
    • DTXCID90141037
    • DB-019997
    • MDL: MFCD00060298
    • Inchi: 1S/C10H11N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5H2,1-2H3
    • InChI Key: OOWISQLTVOZJJI-UHFFFAOYSA-N
    • SMILES: N#CCC1C=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 145.08900
  • Monoisotopic Mass: 145.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 165
  • 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: 23.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3

Experimental Properties

  • Color/Form: 。
  • Density: 0,99 g/cm3
  • Boiling Point: 85°C 1mm
  • PSA: 23.79000
  • LogP: 2.36948
  • Solubility: 。

2,4-Dimethylphenylacetonitrile Security Information

  • Hazardous Material transportation number:UN 3276
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S23-S26-S36-S37-S39
  • Risk Phrases:R20/21/22
  • HazardClass:IRRITANT

2,4-Dimethylphenylacetonitrile 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%

2,4-Dimethylphenylacetonitrile Pricemore >>

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2,4-Dimethylphenylacetonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:68429-53-8)2,4-Dimethylphenylacetonitrile
Order Number:A1211585
Stock Status:in Stock
Quantity:1.0g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:59
Price ($):351.0

Additional information on 2,4-Dimethylphenylacetonitrile

Introduction to 2,4-Dimethylphenylacetonitrile (CAS No. 68429-53-8)

2,4-Dimethylphenylacetonitrile (CAS No. 68429-53-8) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceutical research, and materials science. This compound is characterized by its unique molecular structure, which consists of a phenyl ring substituted with two methyl groups at the 2 and 4 positions, and an acetonitrile group attached to the phenyl ring. The combination of these functional groups imparts a range of chemical properties that make it a valuable intermediate in various synthetic pathways.

The chemical formula of 2,4-Dimethylphenylacetonitrile is C10H11N, and its molecular weight is approximately 149.20 g/mol. The compound is typically a colorless liquid with a characteristic odor. It is soluble in common organic solvents such as ethanol, acetone, and dichloromethane, but has limited solubility in water. These physical properties make it suitable for use in laboratory settings and industrial processes.

In the realm of organic synthesis, 2,4-Dimethylphenylacetonitrile serves as a key building block for the synthesis of more complex molecules. Its reactivity is primarily centered around the nitrile group, which can undergo various transformations such as hydrolysis to form carboxylic acids, reduction to form primary amines, and nucleophilic substitution reactions. These transformations are crucial for the development of new pharmaceuticals and materials with tailored properties.

Recent research has highlighted the potential applications of 2,4-Dimethylphenylacetonitrile in pharmaceutical research. For instance, studies have shown that derivatives of this compound exhibit promising biological activities, including anti-inflammatory and anti-cancer properties. One notable example is the synthesis of substituted phenylacetonitriles that act as potent inhibitors of specific enzymes involved in cancer cell proliferation. These findings underscore the importance of 2,4-Dimethylphenylacetonitrile as a starting material for the development of novel therapeutic agents.

In addition to its pharmaceutical applications, 2,4-Dimethylphenylacetonitrile has also found use in materials science. The compound can be polymerized or incorporated into polymer matrices to enhance their mechanical and thermal properties. For example, researchers have developed copolymers containing 2,4-Dimethylphenylacetonitrile units that exhibit improved strength and durability compared to conventional polymers. These materials have potential applications in areas such as coatings, adhesives, and composite materials.

The safety and environmental impact of 2,4-Dimethylphenylacetonitrile are important considerations for its use in various applications. While the compound is generally considered safe when handled properly under laboratory conditions, it is essential to follow standard safety protocols to minimize exposure risks. This includes using appropriate personal protective equipment (PPE) and ensuring proper ventilation in work areas.

In conclusion, 2,4-Dimethylphenylacetonitrile (CAS No. 68429-53-8) is a valuable compound with a wide range of applications in organic synthesis, pharmaceutical research, and materials science. Its unique chemical structure and reactivity make it an important intermediate for the development of new molecules with diverse functionalities. Ongoing research continues to uncover new possibilities for this compound, further solidifying its importance in the scientific community.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:68429-53-8)2,4-Dimethylphenylacetonitrile
A1211585
Purity:99%
Quantity:1.0g
Price ($):351.0
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