3-Isocyanophenylisocyanide

Base Information

• Chemical Name: 3-Isocyanophenylisocyanide
• CAS No.: 935-27-3
• Molecular Formula: C₈H₄N₂
• Molecular Weight: 128.133
• DSSTox Substance ID: DTXSID801338505
• Nikkaji Number: J3.606.142A

Synonyms:1,3-diisocyanobenzene;3-ISOCYANOPHENYLISOCYANIDE;SCHEMBL7529351;DTXSID801338505;AKOS006295486;52234-17-0;935-27-3;DB-315457

Chemical Property of 3-Isocyanophenylisocyanide

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.037448136
• Heavy Atom Count: 10
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Isocyanophenylisocyanide

There total 3 articles about 3-Isocyanophenylisocyanide 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:

N,N'-1,3-diaminobenzene-bis-formamide (25227-79-6) → meta-phenylenediisocyanate (935-27-3)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1002/ardp.19642971003

Reference yield:

chloroform (67-66-3,8013-54-5) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → meta-phenylenediisocyanate (935-27-3)

Guidance literature:

Reference yield:

→ meta-phenylenediisocyanate (935-27-3)

Guidance literature:

1,3-Diformamidobenzol, POCl3, Py.;

upstream raw materials:

N,N'-1,3-diaminobenzene-bis-formamide

chloroform

m-phenylenediamine

Downstream raw materials:

benzene-1,3-dicarbonitrile

BrMn(CO)4(CNC₆H₄CN)

BrMn(CO)3(CNC₆H₄CN)2

(Ir(1,3-diisocyanobenzene)2⁽¹⁺⁾*Cl^(1-))n

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