Diethylstilbestrol disodium salt

Base Information

• Chemical Name: Diethylstilbestrol disodium salt
• CAS No.: 63528-82-5
• Molecular Formula: C18H18O2•2Na
• Molecular Weight: 312.34
• Nikkaji Number: J208.315I
• Mol file: 63528-82-5.mol

Synonyms:Diethylstilbestrol disodium salt;DES disodium salt;63528-82-5;Diethylstilbestrol Disodium;alpha,alpha'-Diethyl-4,4'-stilbenediol disodium salt;4,4'-Stilbenediol, alpha,alpha'-diethyl-, disodium salt;C18H18O2.2Na;disodium;4-[(E)-4-(4-oxidophenyl)hex-3-en-3-yl]phenolate;Diethylstilbestrol, Disodium Salt;C18-H18-O2.2Na;LS-146823;Disodium 4,4'-[(E)-1,2-diethyl-1,2-ethenediyl]bisphenolate;Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, disodium salt, (E)-

Chemical Property of Diethylstilbestrol disodium salt

Chemical Property:

• Vapor Pressure: 3.29E-07mmHg at 25°C
• Melting Point: 169-172oC
• Boiling Point: 407.1°Cat760mmHg
• Flash Point: 186.9°C
• PSA: 46.12000
• Density: 1.107g/cm³
• LogP: 5.70500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 312.11021838
• Heavy Atom Count: 22
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].[Na+].[Na+]
• Isomeric SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)[O-])/C2=CC=C(C=C2)[O-].[Na+].[Na+]