Toluene-2,4,6-triyl triisocyanate

Base Information

• Chemical Name: Toluene-2,4,6-triyl triisocyanate
• CAS No.: 7373-26-4
• Molecular Formula: C10H5N3O3
• Molecular Weight: 215.168
• Hs Code.: 2929109000
• European Community (EC) Number: 230-932-5
• DSSTox Substance ID: DTXSID90224056
• Nikkaji Number: J212.374F
• Mol file: 7373-26-4.mol

Synonyms:1,3,5-triisocyanato-2-methylbenzene;Toluene-2,4,6-triyl triisocyanate;7373-26-4;EINECS 230-932-5;2,4,6-trisisocyanatotoluene;SCHEMBL15317;DTXSID90224056

Chemical Property of Toluene-2,4,6-triyl triisocyanate

Chemical Property:

• Vapor Pressure: 0.000195mmHg at 25°C
• Melting Point: 75 °C
• Boiling Point: 328°Cat760mmHg
• Flash Point: 134.4°C
• PSA: 88.29000
• Density: 1.26g/cm³
• LogP: 1.89690
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 215.03309103
• Heavy Atom Count: 16
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1N=C=O)N=C=O)N=C=O

Technology Process of Toluene-2,4,6-triyl triisocyanate

There total 4 articles about Toluene-2,4,6-triyl triisocyanate 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: 96.0%

phosgene (75-44-5) + 2,4,6-triaminotoluene trihydrochloride (634-87-7) → 2,4,6-triisocyanato-toluene (7373-26-4)

Guidance literature:

2,4,6-triaminotoluene trihydrochloride; at 75 - 140 ℃; for 9h; Inert atmosphere;

phosgene; Solvent; Temperature; Inert atmosphere;

Reference yield: 74.0%

bis(trichloromethyl) carbonate (32315-10-9) + 2,4,6-triaminotoluene trihydrochloride (634-87-7) → 2,4,6-triisocyanato-toluene (7373-26-4)

Guidance literature:

In dichloromethane; chloroform; at 25 ℃; for 1h; Solvent; Cooling with ice;

Reference yield: 52.0%

2,4,6-triaminotoluene trihydrochloride (634-87-7) → 2,4,6-triisocyanato-toluene (7373-26-4)

Guidance literature:

With bis(trichloromethyl) carbonate; In chlorobenzene; at 130 ℃; for 24h; Time; Inert atmosphere;

upstream raw materials:

phosgene

2,4,6-triaminotoluene trihydrochloride

bis(trichloromethyl) carbonate

Downstream raw materials:

2,4,6-tris-(aziridine-1-carbonylamino)-toluene

1,3,5-tri(carbamic acid ethyl ester)-2-methylbenzene

Refernces

• 1、 -. "Preparation method of 2,4,6-toluene triisocyanate". Paragraph 0084; 0092-0094; 0101-0102; 0130; 0135; 0137; 0142. . Retrieved 2021/01/04.