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2,4-Dimethylphenylacetonitrile, with the molecular formula C10H11N, is a colorless to pale yellow liquid that emits a faint floral scent. This chemical compound serves as a versatile intermediate in the synthesis of various products, including pharmaceuticals, agrochemicals, and other organic compounds. Its utility extends to the fragrance industry, where it is incorporated into perfumes and cosmetics for its pleasant aroma. However, it is essential to handle 2,4-Dimethylphenylacetonitrile with caution due to its moderate acute oral toxicity and potential to cause skin and eye irritation.

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  • 68429-53-8 Structure
  • Basic information

    1. Product Name: 2,4-DIMETHYLPHENYLACETONITRILE
    2. Synonyms: 2,4-DIMETHYLPHENYLACETONITRILE;2,4-Dimethylbenzyl cyanide;2-(2,4-Dimethylphenyl)acetonitrile
    3. CAS NO:68429-53-8
    4. Molecular Formula: C10H11N
    5. Molecular Weight: 145.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 68429-53-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 85°C 1mm
    3. Flash Point: 120.7 °C
    4. Appearance: /
    5. Density: 0,99 g/cm3
    6. Vapor Pressure: 0.0137mmHg at 25°C
    7. Refractive Index: 1.524
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,4-DIMETHYLPHENYLACETONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,4-DIMETHYLPHENYLACETONITRILE(68429-53-8)
    12. EPA Substance Registry System: 2,4-DIMETHYLPHENYLACETONITRILE(68429-53-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 20/21/22
    3. Safety Statements: 23-26-36/37/39
    4. RIDADR: 3276
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 68429-53-8(Hazardous Substances Data)

68429-53-8 Usage

Uses

Used in Pharmaceutical Industry:
2,4-Dimethylphenylacetonitrile is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows for the development of new drugs with specific therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 2,4-Dimethylphenylacetonitrile is employed as an intermediate for the production of pesticides and other crop protection agents. Its role in the synthesis of these compounds helps to ensure the development of effective and targeted solutions for agricultural challenges.
Used in Fragrance Industry:
2,4-Dimethylphenylacetonitrile is used as a fragrance ingredient in perfumes and cosmetics. Its floral scent adds a pleasant aroma to these products, enhancing their appeal to consumers and providing a sensory experience that is valued in the personal care market.
Used in Organic Compounds Synthesis:
Beyond its applications in specific industries, 2,4-Dimethylphenylacetonitrile is a valuable intermediate for the synthesis of a wide range of organic compounds. Its versatility in chemical reactions makes it an essential component in the creation of various specialty chemicals and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 68429-53-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,4,2 and 9 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 68429-53:
(7*6)+(6*8)+(5*4)+(4*2)+(3*9)+(2*5)+(1*3)=158
158 % 10 = 8
So 68429-53-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H11N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5H2,1-2H3

68429-53-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-Dimethylphenylacetonitrile

1.2 Other means of identification

Product number -
Other names 2-(2,4-dimethylphenyl)acetonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:68429-53-8 SDS

68429-53-8Relevant articles and documents

6-Substituted pyridoindolone derivatives, production and therapeutic use thereof

-

Page/Page column 12, (2010/11/27)

Compounds of formula: and pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R1, R2, R3, R4, and R5, have the meanings given in the description; pharmaceutical compositions comprising said compounds; and processes for preparing said compounds and methods of use thereof.

Mild palladium-catalyzed selective monoarylation of nitriles

Wu, Lingyun,Hartwig, John F.

, p. 15824 - 15832 (2007/10/03)

Two new palladium-catalyzed procedures for the arylation of nitriles under less basic conditions than previously reported have been developed. The selective monoarylation of acetonitrile and primary nitriles has been achieved using α-silyl nitriles in the presence of ZnF2. This procedure is compatible with a variety of functional groups, including cyano, keto, nitro, and ester groups, on the aryl bromide. The arylation of secondary nitriles occurred in high yield by conducting reactions with zinc cyanoalkyl reagents. These reaction conditions tolerated base-sensitive functional groups, such as ketones and esters. The combination of these two methods, one with a-silyl nitriles and one with zinc cyanoalkyl reagents, provides a catalytic route to a variety of benzylic nitriles, which have not only biological significance but utility as synthetic intermediates. The utility of these new coupling reactions has been demonstrated by a synthesis of verapamil, a clinically used drug for the treatment of heart disease, by a three-step route from commercial materials that allows convenient variation of the aryl group.

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