Isocyanobenzene-2,4,6-d3

Base Information

• Chemical Name: Isocyanobenzene-2,4,6-d3
• CAS No.: 51524-87-9
• Molecular Formula: C7H5N
• Molecular Weight: 106.1398
• DSSTox Substance ID: DTXSID90199492
• Wikidata: Q83072412
• Mol file: 51524-87-9.mol

Synonyms:Isocyanobenzene-2,4,6-d3;51524-87-9;Benzene-1,3,5-d3, 2-isocyano-;DTXSID90199492

Chemical Property of Isocyanobenzene-2,4,6-d3

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 106.061029402
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]C1=CC=CC=C1
• Isomeric SMILES: [2H]C1=CC(=C(C(=C1)[2H])[N+]#[C-])[2H]

Technology Process of Isocyanobenzene-2,4,6-d3

There total 1 articles about Isocyanobenzene-2,4,6-d3 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:

→ 2,4,6-d3-Phenylisocyanid (51524-87-9)

Guidance literature:

Anilin, DCl in D2O -> Anilin-d5, HOH;

DOI:10.1002/oms.1210010213