4-Isocyanatobenzene-1-sulfonyl isocyanate

Base Information

• Chemical Name: 4-Isocyanatobenzene-1-sulfonyl isocyanate
• CAS No.: 1773-41-7
• Molecular Formula: C₈H₄N₂O₄S
• Molecular Weight: 224.197
• DSSTox Substance ID: DTXSID80571182
• Mol file: 1773-41-7.mol

Synonyms:1773-41-7;SCHEMBL182964;DTXSID80571182;p-isocyanatobenzenesulfonyl isocyanate;4-Isocyanatobenzene-1-sulfonyl isocyanate

Chemical Property of 4-Isocyanatobenzene-1-sulfonyl isocyanate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 223.98917779
• Heavy Atom Count: 15
• Complexity: 404

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C=O)S(=O)(=O)N=C=O

Technology Process of 4-Isocyanatobenzene-1-sulfonyl isocyanate

There total 2 articles about 4-Isocyanatobenzene-1-sulfonyl isocyanate 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) + sulfanilamide (63-74-1) → p-isocyanatobenzenesulfonyl isocyanate (1773-41-7)

Guidance literature:

In nitrobenzene; at 157 ℃;

DOI:10.1021/jo01015a516

Reference yield:

phosgene (75-44-5) + carbutamide (339-43-5) → p-isocyanatobenzenesulfonyl isocyanate (1773-41-7)

Guidance literature:

In chlorobenzene;

Reference yield: 80.0%

vanadocene + p-isocyanatobenzenesulfonyl isocyanate (1773-41-7) → bis(η(5)-cyclopentadiene)carbonylvanadium + N,N'-bis[bis(η(5)-cyclopentadienyl)vanadio]-N,N'-bis(p-sulfamoylphenyl)urea

Guidance literature:

In toluene; to frozen soln. of V-compd. isocyanate soln. addn. (reactant ratio 5:2); ppt. filtration off, washing, vacuum drying; elem. anal.;

upstream raw materials:

phosgene

carbutamide

sulfanilamide

Downstream raw materials:

Methyl-(4-methoxycarbonylamino-benzolsulfonylcarbamat)