Benzoic acid, 5-amino-2-chloro-4-sulfo-

Base Information

• Chemical Name: Benzoic acid, 5-amino-2-chloro-4-sulfo-
• CAS No.: 5855-78-7
• Molecular Formula: C7H6ClNO5S
• Molecular Weight: 251.64424
• European Community (EC) Number: 227-468-0
• DSSTox Substance ID: DTXSID7064027
• Nikkaji Number: J168.631C
• Wikidata: Q81991184
• Mol file: 5855-78-7.mol

Synonyms:5-amino-2-chloro-4-sulfobenzoic acid;5855-78-7;Benzoic acid, 5-amino-2-chloro-4-sulfo-;5-Amino-2-chloro-4-sulphobenzoic acid;C.A. acid;EINECS 227-468-0;SCHEMBL537604;DTXSID7064027;5-Amino-2-chloro-4-ulfobenzoic acid;A853249

Chemical Property of Benzoic acid, 5-amino-2-chloro-4-sulfo-

Chemical Property:

• Refractive Index: 1.668
• PKA: -2.17±0.50(Predicted)
• PSA: 126.07000
• Density: 1.81g/cm³
• LogP: 2.52910
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 250.9655212
• Heavy Atom Count: 15
• Complexity: 351

Purity/Quality:

97% ^*data from raw suppliers

5-AMINO-2-CHLORO-4-SULFO BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)S(=O)(=O)O)Cl)C(=O)O