5-(Dodecyldithio)-2-nitrobenzoic acid

Base Information

• Chemical Name: 5-(Dodecyldithio)-2-nitrobenzoic acid
• CAS No.: 114019-73-7
• Molecular Formula: C19H29 N O4 S2
• Molecular Weight: 399.57
• DSSTox Substance ID: DTXSID60150636
• Nikkaji Number: J712.367A
• Wikidata: Q83016790
• Mol file: 114019-73-7.mol

Synonyms:5-dodecyldithio-2-nitrobenzoic acid;C12-TNB;dodecyldithio-5-(2-nitrobenzoic acid)

Chemical Property of 5-(Dodecyldithio)-2-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 2.61E-12mmHg at 25°C
• Boiling Point: 535.8°Cat760mmHg
• Flash Point: 277.8°C
• PSA: 133.72000
• Density: 1.18g/cm³
• LogP: 7.47740
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 399.15380075
• Heavy Atom Count: 26
• Complexity: 404

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O