3,5-Bis(methylsulfonyl)benzonitrile

Base Information

• Chemical Name: 3,5-Bis(methylsulfonyl)benzonitrile
• CAS No.: 849924-84-1
• Molecular Formula: C9H9 N O4 S2
• Molecular Weight: 259.3
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID201294169
• Mol file: 849924-84-1.mol

Synonyms:3,5-bis(methylsulfonyl)benzonitrile;849924-84-1;169696-83-7;3,5-bis(methylsulphonyl)benzonitrile;3,5-dimethanesulfonylbenzonitrile;DTXSID201294169;MFCD04037977;AKOS015852475;CS-0365848;Benzonitrile, 2,5-bis[(methylsulfonyl)oxy]-

Chemical Property of 3,5-Bis(methylsulfonyl)benzonitrile

Chemical Property:

• PSA: 108.83000
• LogP: 2.52688
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 258.99730012
• Heavy Atom Count: 16
• Complexity: 460

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Bis(methylsulfonyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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