4-Chlor-3-nitro-5-sulfobenzoesure

Base Information

• Chemical Name: 4-Chlor-3-nitro-5-sulfobenzoesure
• CAS No.: 130262-91-8
• Molecular Formula: C7H4 Cl N O7 S
• Molecular Weight: 281.63
• DSSTox Substance ID: DTXSID40703902
• Wikidata: Q72456168
• Mol file: 130262-91-8.mol

Synonyms:4-Chlor-3-nitro-5-sulfobenzoesure

Chemical Property of 4-Chlor-3-nitro-5-sulfobenzoesure

Chemical Property:

• PSA: 145.87000
• Density: 1.896
• LogP: 2.79710
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 280.9397003
• Heavy Atom Count: 17
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-nitro-5-sulfobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)O)C(=O)O
• Uses: 4-Chloro-3-nitro-5-sulfobenzoic acid is an intermediate produced from the allergic reaction to bumetanide.