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PENTAMETHYLBENZONITRILE, with the molecular formula C13H15N, is a clear, colorless liquid chemical compound. It is primarily utilized as an intermediate in the synthesis of a variety of organic compounds, including pharmaceuticals, agrochemicals, and specialty chemicals. Its high purity and low impurity levels contribute to its versatility and importance in numerous industrial and scientific applications.

5144-10-5

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5144-10-5 Usage

Uses

Used in Pharmaceutical Industry:
PENTAMETHYLBENZONITRILE is used as a building block for the production of pharmaceuticals, contributing to the development of new drugs and medicines.
Used in Agrochemical Industry:
In the agrochemical sector, PENTAMETHYLBENZONITRILE serves as a key intermediate in the synthesis of various agrochemicals, aiding in the creation of products that enhance crop protection and yield.
Used in Specialty Chemicals Production:
PENTAMETHYLBENZONITRILE is employed as a crucial component in the manufacturing of specialty chemicals, which are used in a wide range of applications, from coatings to adhesives.
Used as a Solvent:
PENTAMETHYLBENZONITRILE is utilized as a solvent in various chemical processes, facilitating reactions and improving the efficiency of chemical synthesis.
Used in Organic Reactions:
PENTAMETHYLBENZONITRILE is also used in organic reactions, such as the formation of carbon-carbon bonds, playing a significant role in the synthesis of complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 5144-10-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,4 and 4 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5144-10:
(6*5)+(5*1)+(4*4)+(3*4)+(2*1)+(1*0)=65
65 % 10 = 5
So 5144-10-5 is a valid CAS Registry Number.
InChI:InChI=1/C12H15N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h1-5H3

5144-10-5 Well-known Company Product Price

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  • Alfa Aesar

  • (A14733)  Pentamethylbenzonitrile, 98%   

  • 5144-10-5

  • 1g

  • 130.0CNY

  • Detail
  • Alfa Aesar

  • (A14733)  Pentamethylbenzonitrile, 98%   

  • 5144-10-5

  • 5g

  • 511.0CNY

  • Detail

5144-10-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,4,5,6-pentamethylbenzonitrile

1.2 Other means of identification

Product number -
Other names EINECS 225-912-8

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:5144-10-5 SDS

5144-10-5Relevant academic research and scientific papers

Stable and reusable nanoscale Fe2O3-catalyzed aerobic oxidation process for the selective synthesis of nitriles and primary amides

Murugesan, Kathiravan,Senthamarai, Thirusangumurugan,Sohail, Manzar,Sharif, Muhammad,Kalevaru, Narayana V.,Jagadeesh, Rajenahally V.

supporting information, p. 266 - 273 (2018/01/12)

The sustainable introduction of nitrogen moieties in the form of nitrile or amide groups in functionalized molecules is of fundamental interest because nitrogen-containing motifs are found in a large number of life science molecules, natural products and materials. Hence, the synthesis and functionalization of nitriles and amides from easily available starting materials using cost-effective catalysts and green reagents is highly desired. In this regard, herein we report the nanoscale iron oxide-catalyzed environmentally benign synthesis of nitriles and primary amides from aldehydes and aqueous ammonia in the presence of 1 bar O2 or air. Under mild reaction conditions, this iron-catalyzed aerobic oxidation process proceeds to synthesise functionalized and structurally diverse aromatic, aliphatic and heterocyclic nitriles. Additionally, applying this iron-based protocol, primary amides have also been prepared in a water medium.

Oxidation of Aromatic Compounds. V. Oxidation of Substituted Benzonitriles and 2,4,6-Triaryl-1,3,5-Triazines in System HSO3F-PbO2

Rudenko,Salfetnikova,Vasil'ev

, p. 1447 - 1470 (2007/10/03)

Low-temperature oxidation of substituted benzonitriles by the system HSO3F-PbO2 proceeds with intermediate formation of cation-radicals and leads to substitution of hydrogen atoms of the methyl group or benzene ring. This reaction provides a route for preparation of chloromethylsubstituted benzonitriles, diarylmethanes, diaryls, arylfluorosulfonates and substituted benzamides with cyano groups. In the case of methyl derivatives of 2,4,6-triphenyl-1,3,5-triazine substitution of the first and then the second hydrogen atom of the same methyl group transforms it into hydroxy or chloromethyl group, or into the aldehyde function.

RADICAL-CATIONS OF METHYL-SUBSTITUTED BENZONITRILES

Rudenko, A. P.,Cheremisin, A. A.,Shchegoleva, L. N.,Detsina, A. N.,Zarubin, M. Ya.

, p. 1675 - 1684 (2007/10/02)

The chemical oxidation of a series of methylated derivatives of benzonitrile in fluorosulfonic acid containing lead oxide leads to the formation of paramagnetic particles characterized by preferential localization of the unpaired electron at the C2, C3, C5, and C6 ring atoms.A computational analysis within the scope of the unrestricted Hartree-Fock method in the INDO approximation indicates that the structure of the obtained particles is described best by structures corresponding to the addition of a proton at the unshared electron pair of the nitrogen atom inthe nitrile fragment of the radical-cations.

A FACILE SYNTHETIC ROUTE TO SOME ARYLMALONONITRILES

Suzuki, Hitomi,Kobayashi, Tsutomu,Osuka, Atsuhiro

, p. 589 - 590 (2007/10/02)

Copper(I) iodide-assisted reaction of aryl iodides with malononitrile anion provides a convenient route to some arylmalononitriles.

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