Isocyanatosulfuric acid, 2,4,6-trichlorophenyl ester

Base Information

• Chemical Name: Isocyanatosulfuric acid, 2,4,6-trichlorophenyl ester
• CAS No.: 14754-46-2
• Molecular Formula: C7H2Cl3NO4S
• Molecular Weight: 302.522
• DSSTox Substance ID: DTXSID50476433
• Mol file: 14754-46-2.mol

Synonyms:14754-46-2;Isocyanatosulfuric acid, 2,4,6-trichlorophenyl ester;DTXSID50476433

Chemical Property of Isocyanatosulfuric acid, 2,4,6-trichlorophenyl ester

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 300.877012
• Heavy Atom Count: 16
• Complexity: 377

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)OS(=O)(=O)N=C=O)Cl)Cl

Technology Process of Isocyanatosulfuric acid, 2,4,6-trichlorophenyl ester

There total 1 articles about Isocyanatosulfuric acid, 2,4,6-trichlorophenyl ester 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:

isocyanate de chlorosulfonyle (1189-71-5) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8) → isocyanatosulfuric acid 2,4,6-trichloro-phenyl ester (14754-46-2)

Guidance literature:

In chlorobenzene; at 110 ℃; Heating;

Reference yield: 92.0%

isocyanatosulfuric acid 2,4,6-trichloro-phenyl ester (14754-46-2) + trihydryl-1,1,2 bromo-1 F-octanol-2 (89807-98-7) → C15H6BrCl3F13NO5S

Guidance literature:

In diethyl ether; at 20 ℃;

DOI:10.1080/10426500600919447

Reference yield: 91.0%

isocyanatosulfuric acid 2,4,6-trichloro-phenyl ester (14754-46-2) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2,4,6-trichlorophenyl (2-hydroxybenzoyl)sulfamate

Guidance literature:

In toluene; at 20 ℃; Inert atmosphere;

DOI:10.1007/s12039-018-1586-1

upstream raw materials:

isocyanate de chlorosulfonyle

2,4,6-Trichlorophenol

Downstream raw materials:

7-oxo-2,4-dioxa-6-aza-bicyclo[3.2.0]heptane-6-sulfonic acid 2,4,6-trichloro-phenyl ester

sulfamate de trichloro-2,4,6 phenyle

2-Acetyl-N-(2.4.6-trichlorphenyloxysulfonyl)-propionsaeureamid

2,4,6-trichlorophenyl N-(2,4,6-tri-tert-butylphenoxycarbonyl)sulfamate