1,2,3,4,5-Pentachloro-6-isocyanatobenzene

Base Information

• Chemical Name: 1,2,3,4,5-Pentachloro-6-isocyanatobenzene
• CAS No.: 29173-60-2
• Molecular Formula: C7Cl5NO
• Molecular Weight: 291.348
• DSSTox Substance ID: DTXSID70538623
• Nikkaji Number: J3.146.812D
• Mol file: 29173-60-2.mol

Synonyms:1,2,3,4,5-Pentachloro-6-isocyanatobenzene;29173-60-2;pentachlorophenyl isocyanate;SCHEMBL10744608;DTXSID70538623

Chemical Property of 1,2,3,4,5-Pentachloro-6-isocyanatobenzene

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 290.839302
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=NC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O

Technology Process of 1,2,3,4,5-Pentachloro-6-isocyanatobenzene

There total 4 articles about 1,2,3,4,5-Pentachloro-6-isocyanatobenzene 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:

phosgene (75-44-5) + 2,3,4,5,6-pentachloroaniline (527-20-8) → pentachlorophenyl isocyanate (29173-60-2)

Guidance literature:

In tetrahydrofuran; ethyl acetate;

Reference yield:

phosgene (75-44-5) + 2,3,4,5,6-pentachloroaniline (527-20-8) + tetramethylurea (632-22-4) → pentachlorophenyl isocyanate (29173-60-2)

Guidance literature:

In toluene;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 2,3,4,5,6-pentachloroaniline (527-20-8) → pentachlorophenyl isocyanate (29173-60-2)

Guidance literature:

With triethylamine; In benzene; for 3h; Heating;

upstream raw materials:

bis(trichloromethyl) carbonate

2,3,4,5,6-pentachloroaniline

phosgene

tetramethylurea

Downstream raw materials:

3-(2,3,4,5,6-pentachlorophenyl)-2,4(1H,3H)-quinazolinedione

Pentachlorophenyl-carbamic acid 2,6-dibromo-4-trifluoromethyl-phenyl ester

N-(Pentachlorphenyl)-N_.N'-dimethylbenzamidin

N_.N'-Dimethyl-N-(pentachlorphenylcarbamoyl)-acetamidin

Refernces

• 1、 Mhatre, Vandana,Joshi, Vidya. "Synthesis of new substituted 6-ureidopurines and 6-ureido-9-(2,3,5-triacetyl ribofuranosyl)purines having cytokinin (plant growth promoting) activity". . p. 2667 - 2675. Retrieved 2007/10/03.
• 2、 -. "Method of controlling aquatic weeds". . . Retrieved 2008/06/13.