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Phenobutiodil
[CAS# 554-24-5]

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Identification
Name Phenobutiodil
Synonyms 2-(2,4,6-Triiodophenoxy)Butyric Acid; 4-06-00-01086 (Beilstein Handbook Reference); 4114 Th
Molecular Structure CAS#: 554-24-5, Phenobutiodil
Molecular Formula C10H9I3O3
Molecular Weight 557.89
CAS Registry Number 554-24-5
EINECS 209-065-1
SMILES C1=C(I)C=C(C(=C1I)OC(C(O)=O)CC)I
InChI 1S/C10H9I3O3/c1-2-8(10(14)15)16-9-6(12)3-5(11)4-7(9)13/h3-4,8H,2H2,1H3,(H,14,15)
InChIKey VYAGDYWTCWDKIS-UHFFFAOYSA-N
Properties
Density 2.489g/cm3 (Cal.)
Boiling point 529.071°C at 760 mmHg (Cal.)
Flash point 273.772°C (Cal.)
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