2-(Trifluoromethyl)benzenesulfonyl isocyanate

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzenesulfonyl isocyanate
• CAS No.: 85813-73-6
• Molecular Formula: C8H4F3NO3S
• European Community (EC) Number: 617-763-6
• DSSTox Substance ID: DTXSID10473605

Synonyms:2-(trifluoromethyl)benzenesulfonyl isocyanate;85813-73-6;EC 617-763-6;Benzenesulfonyl isocyanate, 2-(trifluoromethyl)-;SCHEMBL6985457;DTXSID10473605;2-trifluoromethylphenylsulfonyl isocyanate;2-trifluoromethylbenzenesulfonyl isocyanate;2-trifluoromethylphenylsulphonyl isocyanate;NS00007802

Chemical Property of 2-(Trifluoromethyl)benzenesulfonyl isocyanate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 250.98639865
• Heavy Atom Count: 16
• Complexity: 392

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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