Pentasodium 2-(bis(4-(phosphonatooxy)phenyl)methyl)benzoate

Base Information

• Chemical Name: Pentasodium 2-(bis(4-(phosphonatooxy)phenyl)methyl)benzoate
• CAS No.: 93778-24-6
• Molecular Formula: C20H18 O10 P2 . 5 Na
• Molecular Weight: 590.207592
• European Community (EC) Number: 298-159-6
• DSSTox Substance ID: DTXSID40239630
• Nikkaji Number: J364.757I
• Mol file: 93778-24-6.mol

Synonyms:93778-24-6;Pentasodium 2-(bis(4-(phosphonatooxy)phenyl)methyl)benzoate;EINECS 298-159-6;PENTASODIUM 2-[BIS[4-(PHOSPHONATOOXY)PHENYL]METHYL]BENZOATE;C20H18O10P2.5Na;DTXSID40239630;C20-H18-O10-P2.5Na;2-[Bis[4-(phosphonooxy)phenyl]methyl]benzoic acid pentasodium salt

Chemical Property of Pentasodium 2-(bis(4-(phosphonatooxy)phenyl)methyl)benzoate

Chemical Property:

• Vapor Pressure: 1.77E-24mmHg at 25°C
• Boiling Point: 763°Cat760mmHg
• Flash Point: 415.3°C
• PSA: 204.59000
• Density: g/cm³
• LogP: 3.92610
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 589.9472420
• Heavy Atom Count: 37
• Complexity: 645

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)OP(=O)([O-])[O-])C3=CC=C(C=C3)OP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]