2,2,2-Trichloroethane-1-sulfonyl isocyanate

Base Information

• Chemical Name: 2,2,2-Trichloroethane-1-sulfonyl isocyanate
• CAS No.: 87143-15-5
• Molecular Formula: C₃H₂Cl₃NO₃S
• Molecular Weight: 238.479
• DSSTox Substance ID: DTXSID60511243

Synonyms:87143-15-5;2,2,2-Trichloroethane-1-sulfonyl isocyanate;SCHEMBL11026495;DTXSID60511243

Chemical Property of 2,2,2-Trichloroethane-1-sulfonyl isocyanate

Chemical Property:

• Melting Point: 41-41.5 °C
• Boiling Point: 75 °C(Press: 0.25 Torr)
• PSA: 71.95000
• Density: 1.74±0.1 g/cm3(Predicted)
• LogP: 2.10300
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 236.882097
• Heavy Atom Count: 11
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)S(=O)(=O)N=C=O

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