Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester

Base Information

• Chemical Name: Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester
• CAS No.: 64704-15-0
• Molecular Formula: C16H16 N2 O10 S2
• Molecular Weight: 460.44
• DSSTox Substance ID: DTXSID10215042

Synonyms:64704-15-0;Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester;1,4-Butanediyl 2-nitrobenzeneaulfonate;DTXSID10215042

Chemical Property of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester

Chemical Property:

• Vapor Pressure: 4.28E-17mmHg at 25°C
• Boiling Point: 670.6°C at 760 mmHg
• Flash Point: 359.4°C
• PSA: 195.14000
• Density: 1.518g/cm³
• LogP: 5.60200
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 460.02463706
• Heavy Atom Count: 30
• Complexity: 724

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

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