59866-32-9

Basic information

• Product Name: penta-2,4-diynenitrile
• Synonyms: 2,4-pentadiynenitrile; Penta-2,4-diynenitrile
• CAS NO: 59866-32-9
• Molecular Formula: C₅HN
• Molecular Weight: 75.0681
• Mol File: 59866-32-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 105.7°C at 760 mmHg
• Flash Point: 16.2°C
• Density: 1.049g/cm³
• Vapor Pressure: 29.1mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: penta-2,4-diynenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: penta-2,4-diynenitrile(59866-32-9)
• EPA Substance Registry System: penta-2,4-diynenitrile(59866-32-9)

Safety Data

• Hazardous Substances Data: 59866-32-9(Hazardous Substances Data)

Usage

Description

Penta-2,4-diynenitrile, also known as penta-2,4-diyne nitrile, is a chemical compound with the formula C7H2N2. It is a highly reactive and potentially hazardous substance known for its acetylenic nature, containing multiple triple bonds and carbon-carbon connections. It is commonly used in organic synthesis and as a building block for the creation of more complex molecules. However, due to its toxicity and flammability, it is important to handle penta-2,4-diynenitrile with caution, and exposure to this chemical can cause irritation to the skin, eyes, and respiratory system, making proper protective measures and safety protocols essential when working with it.

Uses

Used in Organic Synthesis:
Penta-2,4-diynenitrile is used as a building block in organic synthesis for the creation of more complex molecules. Its acetylenic nature allows it to undergo various chemical reactions, making it a valuable component in the synthesis of advanced materials and compounds.
Used in Research Settings:
In research settings, penta-2,4-diynenitrile is used as a highly reactive substance for studying chemical reactions and exploring new synthetic pathways. Its unique properties and potential for forming complex molecules make it an important tool for scientific investigation and discovery.
Used in Industrial Applications:
Penta-2,4-diynenitrile is utilized in various industrial applications, where its reactivity and ability to form complex molecules are harnessed to produce advanced materials and products. Its use in these applications is carefully managed to ensure safety and minimize potential hazards associated with its toxicity and flammability.

Upstream product

• 460-19-5 ethanedinitrile 
• 460-12-8 diacetylene cation 
• 1070-71-9 propiolonitrile 
• 460-12-8 Butadiyne 
• 506-68-3 bromocyane 
• 1070-71-9 cyanoacetylene cation radical 
• 74-86-2 acetylene 
• 113298-96-7 C₃N⁽¹⁺⁾ 
• 97208-97-4 penta-2,4-diynamide 
• 19158-51-1 P-toluenesulfonyl cyanide 
• 460-19-5 cyanogen cation 
• 12539-57-0 cyanogen cation 

Relevant articles and documents

Methylcyanobutadiyne: Synthesis, x-ray structure and photochemistry; Towards an explanation of its formation in the interstellar medium

Out of this world: A new convenient synthesis of methylcyanobutadiyne (see figure), an interstellar compound, is described. It was characterized by various techniques including X-ray structure determination. Photolysis experiments were carried out on binary gaseous mixtures of interstellar relevant compounds to understand how methylcyanobutadiyne could be formed in the interstellar medium. Copyright

Synthesis and characterization of 2,4-pentadiynenitrile - A key compound in space science

(Chemical Equation Presented) Spaced out: Cyanobutadiyne (3) was synthesized in pure form from 1,3-butadiynyltributylstannane (1) and p-toluene-sulfonyl cyanide (2). Diyne 3 might be formed in the atmosphere of Titan or in the interstellar medium by photolysis of mixtures of acetylene and cyanoacetylene or dicyanoacetylene or of butadiyne and dicyanoacetylene. Only 1,6-addition is observed with nucleophiles.

Reaction rates of the CN radical with diacetylene and dicyanoacetylene

Rates of CN reactions with diacetylene (DA) and dicyanoacetylene (DCA) have been measured at room temperature from the decay of the CN radical at various sample pressures by laser induced fluorescence. The rate constants are (4.2 ± 0.2) × 10-10 and (5.4±0.2) × 10-13 in units of cm3 molec-1 s-1 for DA and DCA, respectively, which follow the general pattern of CN reactions with hydrocarbons and nitriles. In the lower temperature circumstellar envelopes and Titan's atmosphere, the CN reaction with C4H2 may be more important, while the reaction with C4N2 may become less important.