20654-47-1

Basic information

• Product Name: 2,2-DiMethylvaleronitrile
• Synonyms: 2,2-DiMethylvaleronitrile;2,2-Dimethylpentanenitrile
• CAS NO: 20654-47-1
• Molecular Formula: C₇H₁₃N
• Molecular Weight: 111.18482
• Mol File: 20654-47-1.mol

Chemical Properties

• Boiling Point: 150°C(lit.)
• Flash Point: 36.022°C
• Appearance: /
• Density: 0.808g/cm³
• Vapor Pressure: 3.249mmHg at 25°C
• Refractive Index: 1.4020 to 1.4060
• CAS DataBase Reference: 2,2-DiMethylvaleronitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DiMethylvaleronitrile(20654-47-1)
• EPA Substance Registry System: 2,2-DiMethylvaleronitrile(20654-47-1)

Safety Data

• RIDADR: UN 1993 3/PG III
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 20654-47-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,2-Dimethylvaleronitrile is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medical treatments.
Used in Agrochemical Industry:
In the agrochemical sector, 2,2-Dimethylvaleronitrile is utilized as a chemical intermediate in the production of pesticides and other agrochemicals. Its role in this industry is crucial for the development of effective solutions to protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
2,2-Dimethylvaleronitrile is employed as a reagent in organic synthesis, facilitating the creation of a wide range of organic compounds. Its versatility in chemical reactions makes it an essential tool for chemists working in research and development.
Used in Polymer Industry:
As a stabilizer in the polymer industry, 2,2-Dimethylvaleronitrile helps to improve the stability and performance of various polymers. Its incorporation into polymer formulations can enhance the durability and resistance of the final products, making them suitable for a broader range of applications.
Safety Considerations:
Although 2,2-Dimethylvaleronitrile is considered to have low acute toxicity, it is important to handle it with care. Its vapors can be harmful if inhaled, necessitating proper ventilation and safety measures during its use and storage.

InChI:InChI=1/C7H13N/c1-4-5-7(2,3)6-8/h4-5H2,1-3H3

Upstream product

• 78-82-0 Isobutyronitrile 
• 106-94-5 propyl bromide 
• 114000-59-8 N,N'-bis-(2,2-dimethyl-pentylidene)-2,2-dimethyl-pentane-1,1-diamine 

Downstream Products

• 80606-10-6 3,3-Dimethyl-2-hexanonoxim-pikrat 

Relevant articles and documents

Organometallic Lewis Acids, Part LXII. Chiral Carbonyl-Cyclopentadienyl-Triphenylphosphine-Iron and -Ruthenium Complexes with Tertiary Nitriles [CpM(CO)(PPh3)(N≡C–CR1R2R3)]+ BF4–

A series of tertiary nitriles was synthesized by alkylation of acetonitrile, primary and secondary nitriles, using alkylbromides and sodium amide in liquid ammonia. By reaction of the in situ formed organometallic Lewis acids [CpM(CO)(PPh3)]su

Wanderungstendenzen cyclischer, polycyclischer und methylverzweigter Alkylreste bei der Beckmann-Umlagerung

The migration aptitudes of polycyclic bridgehead groups, cycloalkyl groups as well as of β-, γ- and δ-branched alkyl groups in the Chapman variant of the Beckmann rearrangement were determined.From these data it is concluded that at transition state 2 the migrating group is not resembling a planarised carbenium ion R+, but rather a pentacoordinated carbonium ion structure.Because only small geometrical changes occur in the migrating group vertical stabilisation of charge at transition state is believed to have significant influence on the migration aptitudes.