4,4-Bis(benzylsulfonyl)-7-phenylheptanenitrile

Base Information

• Chemical Name: 4,4-Bis(benzylsulfonyl)-7-phenylheptanenitrile
• CAS No.: 6330-06-9
• Molecular Formula: C27H29NO4S2
• Molecular Weight: 495.6535
• NSC Number: 47120
• DSSTox Substance ID: DTXSID10286737
• Wikidata: Q82022519

Synonyms:6330-06-9;4,4-bis(benzylsulfonyl)-7-phenylheptanenitrile;NSC47120;DTXSID10286737;NSC-47120

Chemical Property of 4,4-Bis(benzylsulfonyl)-7-phenylheptanenitrile

Chemical Property:

• Vapor Pressure: 1.03E-24mmHg at 25°C
• Boiling Point: 786.7°Cat760mmHg
• Flash Point: 429.6°C
• Density: 1.255g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 495.15380075
• Heavy Atom Count: 34
• Complexity: 808

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCC(CCC#N)(S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

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