2-Aminobenzenesulfonic acid (1-methylethylidene)di-4,1-phenylene ester

Base Information

• Chemical Name: 2-Aminobenzenesulfonic acid (1-methylethylidene)di-4,1-phenylene ester
• CAS No.: 68015-60-1
• Molecular Formula: C27H26N2O6S2
• Molecular Weight: 538.64
• European Community (EC) Number: 268-141-2
• DSSTox Substance ID: DTXSID7070979
• Nikkaji Number: J23.058H
• Wikidata: Q72437940
• Mol file: 68015-60-1.mol

Synonyms:Benzenesulfonicacid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester (9CI);

Chemical Property of 2-Aminobenzenesulfonic acid (1-methylethylidene)di-4,1-phenylene ester

Chemical Property:

• Melting Point: 158-159 °C
• Boiling Point: 742 °C at 760 mmHg
• PKA: -1.19±0.10(Predicted)
• Flash Point: 402.6 °C
• PSA: 155.54000
• Density: 1.365 g/cm³
• LogP: 8.03630
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 538.12322890
• Heavy Atom Count: 37
• Complexity: 866

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4''-Bis(2-amino-benzenesulfonyl)bisphenolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4N
• Uses: 4,4''-Bis(2-amino-benzenesulfonyl)bisphenol ester (CAS# 68015-60-1) is a building block used for the synthesis of azo and disazo organic dyes.