2-Amino-5-(trifluoromethylsulfonyl)benzonitrile

Base Information

• Chemical Name: 2-Amino-5-(trifluoromethylsulfonyl)benzonitrile
• CAS No.: 914776-00-4
• Molecular Formula: C8H5F3N2O2S
• Molecular Weight: 250.1977096
• DSSTox Substance ID: DTXSID40698465
• Wikidata: Q82628685
• Mol file: 914776-00-4.mol

Synonyms:914776-00-4;2-AMINO-5-(TRIFLUOROMETHYLSULFONYL)BENZONITRILE;SCHEMBL2789258;DTXSID40698465;NQSSHXRLLIQIOK-UHFFFAOYSA-N;2-amino-5-trifluoromethanesulfonyl-benzonitrile;2-Amino-5-(trifluoromethanesulfonyl)benzonitrile

Chemical Property of 2-Amino-5-(trifluoromethylsulfonyl)benzonitrile

Chemical Property:

• PSA: 92.33000
• LogP: 3.09598
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 250.00238307
• Heavy Atom Count: 16
• Complexity: 403

Purity/Quality:

99%+ ^*data from raw suppliers

2-AMINO-5-(TRIFLUOROMETHYLSULFONYL)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)C#N)N

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