Benzenesulfonic acid, 5-chloro-4-ethyl-2-nitro-

Base Information

• Chemical Name: Benzenesulfonic acid, 5-chloro-4-ethyl-2-nitro-
• CAS No.: 67892-44-8
• Molecular Formula: C8H8ClNO5S
• Molecular Weight: 265.6708
• European Community (EC) Number: 267-577-0
• DSSTox Substance ID: DTXSID7070769
• Nikkaji Number: J287.630B
• Wikidata: Q81998161
• Mol file: 67892-44-8.mol

Synonyms:5-Chloro-4-ethyl-2-nitrobenzenesulfonic acid;67892-44-8;Benzenesulfonic acid, 5-chloro-4-ethyl-2-nitro-;5-Chloro-4-ethyl-2-nitrobenzenesulphonic acid;EINECS 267-577-0;DTXSID7070769;SCHEMBL11092966

Chemical Property of Benzenesulfonic acid, 5-chloro-4-ethyl-2-nitro-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -1.63±0.50(Predicted)
• Flash Point: °C
• PSA: 108.57000
• Density: 1.573g/cm³
• LogP: 3.66130
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 264.9811712
• Heavy Atom Count: 16
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]