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Crisaborole Dimer Impurity
[CAS# 2254541-79-0]

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Identification
Name Crisaborole Dimer Impurity
Synonyms 4-[4-[4-(4-cyanophenoxy)-2-(hydroxymethyl)phenyl]-3-(hydroxymethyl)phenoxy]benzonitrile
Molecular Structure CAS # 2254541-79-0, Crisaborole Dimer Impurity, 4-[4-[4-(4-cyanophenoxy)-2-(hydroxymethyl)phenyl]-3-(hydroxymethyl)phenoxy]benzonitrile
Molecular Formula C28H20N2O4
Molecular Weight 448.47
CAS Registry Number 2254541-79-0
SMILES C1=CC(=CC=C1C#N)OC2=CC(=C(C=C2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)C#N)CO)CO
Properties
Density 1.4±0.1 g/cm3, Calc.*
Index of Refraction 1.700, Calc.*
Boiling Point 702.3±60.0 ºC (760 mmHg), Calc.*
Flash Point 378.6±32.9 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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