Methanetricarbonitrile

Base Information

• Chemical Name: Methanetricarbonitrile
• CAS No.: 454-50-2
• Molecular Formula: C4H N3
• Molecular Weight: 91.072
• DSSTox Substance ID: DTXSID20411917
• Nikkaji Number: J407.867E
• Wikidata: Q19903909
• Wikipedia: Cyanoform
• Mol file: 454-50-2.mol

Synonyms:tricyanomethane;cyanoform;methanetricarbonitrile;454-50-2;DTXSID20411917;NS00115000;Q19903909

Chemical Property of Methanetricarbonitrile

Chemical Property:

• PKA: -5(at 25℃)
• PSA: 71.37000
• LogP: 0.17334
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 91.017047045
• Heavy Atom Count: 7
• Complexity: 151

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(#N)C(C#N)C#N

Technology Process of Methanetricarbonitrile

There total 12 articles about Methanetricarbonitrile 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:

potassium tricyanomethanide (34171-69-2) → tricyanomethane (454-50-2)

Guidance literature:

With sulfuric acid; In diethyl ether; water; at 0 ℃;

DOI:10.1002/anie.201704561

Reference yield:

potassium tricyanomethide (875222-11-0) → tricyanomethane (454-50-2)

Guidance literature:

With sulfuric acid; In diethyl ether; Yield given;

Reference yield:

Natriumtricyanmethanid → tricyanomethane (454-50-2)

Guidance literature:

With sulfuric acid; In diethyl ether; Yield given;

upstream raw materials:

bromocyane

sodium ethanolate

malononitrile

cyanogen chloride

Downstream raw materials:

4-methyl-pent-3-en-2-one

aminomethylene-malononitrile

Refernces

• 1、 Banert, Klaus,Chityala, Madhu,Hagedorn, Manfred,Beckers, Helmut,Stüker, Tony,Riedel, Sebastian,Rüffer, Tobias,Lang, Heinrich. "Tricyanomethane and Its Ketenimine Tautomer: Generation from Different Precursors and Analysis in Solution, Argon Matrix, and as a Single Crystal". supporting information. p. 9582 - 9586. Retrieved 2017/08/01.
• 2、 Bock, Hans,Dammel, Ralph. "Photoelectron Spectra and Molecular Properties, 110. Tricyanomethane Derivatives X-C(CN)3". . p. 315 - 322. Retrieved 2007/10/02.