Pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate

Base Information

• Chemical Name: Pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate
• CAS No.: 40372-66-5
• Molecular Formula: C7H11O9P^.xNa
• Molecular Weight: 358.05800
• European Community (EC) Number: 266-595-6,254-894-4
• DSSTox Substance ID: DTXSID20986190
• Nikkaji Number: J310.208D
• Mol file: 40372-66-5.mol

Synonyms:Pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate;67170-90-5;EINECS 266-595-6;C7H11O9P.xNa;40372-66-5;C7-H11-O9-P.x-Na;PBTCsodiumsalt;C7H11O9P.5Na;C7-H11-O9-P.5Na;DTXSID20986190;1,2,4-Tris(sodiooxycarbonyl)butan-2-ylphosphonic acid disodium salt

Chemical Property of Pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate

Chemical Property:

• Boiling Point: 545.2oC at 760mmHg
• Flash Point: 283.5oC
• PSA: 190.56000
• Density: 1.835g/cm3
• LogP: -4.23890
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 379.9237902
• Heavy Atom Count: 22
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: C(CC(CC(=O)[O-])(C(=O)[O-])P(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]