Diethylstilbestrol, iodine derivative

Base Information

• Chemical Name: Diethylstilbestrol, iodine derivative
• CAS No.: 64043-55-6
• Molecular Formula: C18H16 I4 O2
• Molecular Weight: 771.94
• Mol file: 64043-55-6.mol

Synonyms:Diethylstilbestrol, iodine derivative;Tetraiodo-alpha,alpha'-diethyl-4,4'-stilbenediol;4,4'-Stilbenediol, tetraiodo-alpha,alpha'-diethyl-;64043-55-6;C18H16I4O2;C18-H16-I4-O2;LS-146835;Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, tetraiodo deriv.

Chemical Property of Diethylstilbestrol, iodine derivative

Chemical Property:

• Boiling Point: 590.6oC at 760 mmHg
• Flash Point: 311oC
• PSA: 40.46000
• Density: 2.2239 (estimate)
• LogP: 7.18100
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 771.7329
• Heavy Atom Count: 24
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

TETRAIODO-ALPHA,ALPHA'-DIETHYL-4,4'-STILBENEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(C1=CC=C(C=C1)O)C(C(I)I)(I)I)C2=CC=C(C=C2)O
• Isomeric SMILES: CC/C(=C(\C1=CC=C(C=C1)O)/C(C(I)I)(I)I)/C2=CC=C(C=C2)O