Cyanoacetylene

Base Information

• Chemical Name: Cyanoacetylene
• CAS No.: 1070-71-9
• Molecular Formula: C3HN
• Molecular Weight: 51.0476
• Hs Code.: 2926909090
• European Community (EC) Number: 861-640-1
• UNII: 0TF7QM91EF
• DSSTox Substance ID: DTXSID40147867
• Nikkaji Number: J71.039C
• Wikipedia: Cyanoacetylene
• Wikidata: Q867172,Q83022088
• Mol file: 1070-71-9.mol

Synonyms:cyanoacetylene

Chemical Property of Cyanoacetylene

Chemical Property:

• Vapor Pressure: 391mmHg at 25°C
• Melting Point: 5℃
• Refractive Index: 1.40072 (17℃)
• Boiling Point: 42.5 °C at 760 mmHg
• Flash Point: -30.497 °C
• PSA: 23.79000
• Density: 0.925 g/cm³
• LogP: 0.14318
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 51.010899036
• Heavy Atom Count: 4
• Complexity: 84.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

CYANOACETYLENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC#N
• Uses: 2-Propynenitrile, is the simplest cyanopolyyne. It has been detected by spectroscopic methods in interstellar clouds, in the coma of comet Hale–Bopp and in the atmosphere of Saturn''s moon Titan, where it sometimes forms expansive fog-like clouds.

Technology Process of Cyanoacetylene

There total 37 articles about Cyanoacetylene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

quinoline (91-22-5) → Butadiyne (460-12-8,27987-87-7) + propiolonitrile (1070-71-9) + benzonitrile (100-47-0) + phenylacetylene (536-74-3) + acetylene (74-86-2,25067-58-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

In gaseous matrix; at 1051.85 ℃; Product distribution; other temperatures;

DOI:10.1021/jp9729831

Reference yield:

isoquinoline (119-65-3) → Butadiyne (460-12-8,27987-87-7) + propiolonitrile (1070-71-9) + benzonitrile (100-47-0) + phenylacetylene (536-74-3) + acetylene (74-86-2,25067-58-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

In gaseous matrix; at 1061.85 ℃; Product distribution; other temperatures;

DOI:10.1021/jp9729831

Reference yield:

acetonitrile (75-05-8,26809-02-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Isobutyronitrile (78-82-0) + hexa-1,3,5-triyne (3161-99-7) + propiolonitrile (1070-71-9) + benzonitrile (100-47-0) + acrylonitrile (107-13-1,25014-41-9) + phenylacetylene (536-74-3) + toluene (108-88-3,15644-74-3,16713-13-6) + propiononitrile (107-12-0) + methacrylonitrile (126-98-7,25067-61-2) + acetylene (74-86-2,25067-58-7)

Guidance literature:

under 760 Torr; Gas phase; Photolysis;

DOI:10.1016/j.jphotochem.2011.04.011

upstream raw materials:

2-propynamide

α-picoline

Butadiyne

3,4-Didehydropyridine

Downstream raw materials:

cyclocitidine

diacetylene radical cation

Hexa-1,3,5-triyne

trans-3-dimethylaminoacrylonitrile

Refernces

• 1、 Kiefer,Zhang,Kern,Yao,Jursic. "Pyrolyses of aromatic azines: Pyrazine, pyrimidine, and pyridine". . p. 7061 - 7073. Retrieved 1997.
• 2、 Blank, David A.,Suits, Arthur G.,Lee, Yuan T.,North, Simon W.,Hall, Gregory E.. "Photodissociation of acrylonitrile at 193 nm: A photofragment translational spectroscopy study using synchrotron radiation for product photoionization". . p. 5784 - 5794. Retrieved 1998.
• 3、 Mackie, John C.,Colket III, Meredith B.,Nelson, Peter F.. "Shock Tube Pyrolysis of Pyridine". . p. 4099 - 4106. Retrieved 1990.
• 4、 Ricardo, Manuel G.,Schwark, Markus,Llanes, Dayma,Niedermeyer, Timo H. J.,Westermann, Bernhard. "Total Synthesis of Aetokthonotoxin, the Cyanobacterial Neurotoxin Causing Vacuolar Myelinopathy". . p. 12032 - 12035. Retrieved 2021.
• 5、 Kang, Lu,Minei, Andrea J.,Novick, Stewart E.. "The microwave spectrum of cyanophosphaacetylene, H2P{single bond}C{triple bond, long}C{single bond}C{triple bond, long}N". . p. 255 - 259. Retrieved 2006.
• 6、 Winkler, Michael,Cakir, Bayram,Sander, Wolfram. "3,5-Pyridyne-A Heterocyclic meta-Benzyne Derivative". . p. 6135 - 6149. Retrieved 2004.
• 7、 Krebaum. "". . p. 4103. Retrieved 1966.
• 8、 Doughty, Alan,Mackie, John C.. "Kinetics of Pyrolysis of a Coal Model Compound, 2-Picoline, the Nitrogen Heteroaromatic Analogue of Toluene. 2. The 2-Picolyl Radical and Kinetic Modeling". . p. 10339 - 10348. Retrieved 1992.
• 9、 Sendt, Karina,Ikeda, Emi,Bacskay, George B.,Mackie, John C.. "Ab Initio Quantum Chemical and Experimental (Shock Tube) Studies of the Pyrolysis Kinetics of Acetonitrile". . p. 1054 - 1072. Retrieved 1999.
• 10、 Patel, Bhavesh H.,Percivalle, Claudia,Ritson, Dougal J.,Duffy, Colm D.,Sutherland, John D.. "Common origins of RNA, protein and lipid precursors in a cyanosulfidic protometabolism". . p. 301 - 307. Retrieved 2015/04/14.