1071-98-3

Basic information

• Product Name: but-2-ynedinitrile
• Synonyms: but-2-ynedinitrile
• CAS NO: 1071-98-3
• Molecular Formula: C₄N₂
• Molecular Weight: 76.09
• Mol File: 1071-98-3.mol
• Article Data: 13

Chemical Properties

• Melting Point: 20.5°C
• Boiling Point: 76.55°C
• Flash Point: °C
• Appearance: /
• Density: 0.9708
• Vapor Pressure: 101mmHg at 25°C
• Refractive Index: 1.4647
• CAS DataBase Reference: but-2-ynedinitrile(CAS DataBase Reference)
• NIST Chemistry Reference: but-2-ynedinitrile(1071-98-3)
• EPA Substance Registry System: but-2-ynedinitrile(1071-98-3)

Safety Data

• Hazardous Substances Data: 1071-98-3(Hazardous Substances Data)

Usage

General Description

But-2-ynedinitrile, also known as 2-Butynedinitrile, is a chemical compound with the molecular formula C4H2N2. It is a highly toxic and potentially dangerous substance that is used in various industrial applications, including as a precursor for the synthesis of organic compounds and polymers. But-2-ynedinitrile has been found to be a potent inhibitor of cytochrome c oxidase, an enzyme involved in the electron transport chain of cellular respiration. Exposure to this compound can cause irritation to the skin, eyes, and respiratory system, as well as potentially more serious health effects with prolonged or high-dose exposure. It is important to handle and use but-2-ynedinitrile with extreme caution and follow proper safety protocols to minimize the risk of harm.

InChI:InChI=1/C4N2/c5-3-1-2-4-6

Upstream product

• 543-21-5 Cellocidin 
• 85278-93-9 1,2-dichloro-1,2-dicyanoethylene 
• 506-77-4 cyanogen chloride 
• 670-54-2 ethenetetracarbonitrile 
• 1070-71-9 propiolonitrile 

Downstream Products

• 93692-43-4 anilino-butenedinitrile 
• 91065-10-0 3-phenyl-isoxazole-4,5-dicarbonitrile 
• 53922-63-7 4,5,12,13-tertacyano[2.2]paracyclophane 
• 20027-13-8 13,13-Difluor-tetracyclo<6.2.2.1^2,7.0^2,7>trideca-3,5,9,11-tetraen-9,10-dicarbonitril 
• 19291-90-8 1,2-Dicyan-7-methoxynaphthalin 
• 23853-31-8 2-Oxo-3-(triphenyl-λ⁵-arsanylidene)-succinonitrile 
• 37639-56-8 3,4,5,6-tetramethyl-1,2-benzenedicarbonitrile 
• 40321-00-4 1,3,4,5-tetramethyl-2-thia-bicyclo[3.2.0]hepta-3,6-diene-6,7-dicarbonitrile 
• 19652-57-4 1,3-Butadiene-2,3-dicarbonitrile 
• 3716-97-0 1,2-dicyanocyclobutene 
• 102606-35-9 6,7-dicyanobicyclo<3.2.2>nona-6,8-diene 
• 109364-69-4 5,6-Dimethyl-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbonitrile 
• 109364-70-7 6,7-dicyano-8,9-dimethylbicyclo<3.2.2>nona-6,8-diene 
• 90777-42-7 2,3-dicyano-5,6-dimethylbicyclo<2.2.1>hepta-2,5-diene 

Relevant articles and documents

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A new and potentially prebiotic α-cytidine derivative

A new α-cytidine derivative was synthesised from the prebiotic reaction of ribose aminooxazoline and dicyanoacetylene. The tetracyclic structure of the product was confirmed by X-ray diffraction and then an alternative 6-step synthetic pathway to the product was found which was suitable for large-scale synthesis.

Vibrational infrared and Raman spectra of dicyanoacetylene

The Raman and infrared spectra for solid C4N2 are reported.New assignments are given for ν1 (2333 cm-1), ν2 (2267) and ν3 (640 cm-1).These assignments are supported by a Normal Coordinate Analysis using eight force constants.Extinction coefficients for the infrared active fundamentals are also reported.Our results suggest C4N2 to be a likely candidate to explain the 478 cm-1 band in the Titan's emission recorded by the Voyager mission.

Organic Heterocyclothiazenes. Part 5. Cycloaddition Reactions of Tetrasulphur Tetranitride with Highly Electron Deficient Alkynes

In contrast with previous, complex, S4N4-alkyne reactions, treatment of butynedinitrile and S4N4 is found to give 1,3,5,2,4-trithiadiazepine-6,7-dicarbonitrile (8) and 1,2,5-thiadiazole-3,4-dicarbonitrile (9) very cleanly and in high yield.Hexafluorobut-2

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Compound and method of producing organic semiconductor device

A method of producing an organic semiconductor device is provided in which a layer composed of an organic semiconductor having excellent crystallinity and orientation in a low-temperature region can be formed, and the device can be produced in the air. The method includes forming a layer composed of an organic semiconductor precursor on a base body and irradiating the organic semiconductor precursor with light, wherein the organic semiconductor precursor is a porphyrin compound or an azaporphyrin compound having in its molecule at least one of the structure represented by the following general formula (1) or (2):

NIR chromophores from small acetylenic building blocks: A Diels-Alder approach to octaalkynylphthalocyanines

Two new routes to cross-conjugated 3,4-dimethylenehexa-1,5-diynes, both starting from dialkynyl 1,2-diones, have been devised. Whereas triisopropylsilyl-protected diketones could be diolefinated in a bis-Wittig reaction with methylenetriphenylphosphorane, their aryl-terminated congeners had to be subjected to the conditions of the Peterson olefination (trimethylsilylmethylmagnesium chloride and subsequent dehydration of the resulting diol with thionyl chloride). The reactivity of the diethynylbutadienes towards standard dienophiles was found to be low and alternative thermal reactions compete with [4 + 2] cycloadditions. However, dicyanoacetylene was shown to be an effective cycloaddition partner leading, after aromatisation, to the corresponding dicyanodiethyriylbenzenes. These were cyclotetramerised with magnesium butanolate in butanol to furnish octaalkynylphthalocyanines, thereby completing a concise, three-step synthesis of these NIR chromophores of relevance to photodynamic forms of therapy. The Royal Society of Chemistry 2000.