4-Amino-2-nitro-3-toluenesulfonic acid

Base Information

• Chemical Name: 4-Amino-2-nitro-3-toluenesulfonic acid
• CAS No.: 226711-11-1
• Molecular Formula: C7H8N2O5S
• Molecular Weight: 232.21
• DSSTox Substance ID: DTXSID10376283
• Nikkaji Number: J2.022.069D
• Wikidata: Q82165186
• Mol file: 226711-11-1.mol

Synonyms:4-AMINO-2-NITRO-3-TOLUENESULFONIC ACID;226711-11-1;6-amino-3-methyl-2-nitrobenzenesulfonic acid;4-Amino-2-nitrotoluene-3-sulfonic acid;SCHEMBL1755097;PHENCYCLIDINEHYDROCHLORIDE;DTXSID10376283;2-Nitro-4-aminotoluene-3-sulfonic acid;FT-0617470

Chemical Property of 4-Amino-2-nitro-3-toluenesulfonic acid

Chemical Property:

• Refractive Index: 1.639
• PSA: 134.59000
• Density: 1.628 g/cm³
• LogP: 2.91730
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 232.01539253
• Heavy Atom Count: 15
• Complexity: 343

Purity/Quality:

98%Min ^*data from raw suppliers

4-AMINO-2-NITRO-3-TOLUENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)N)S(=O)(=O)O)[N+](=O)[O-]