888967-63-3

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888967-63-3 Structure

Identification	Back Directory
[Name] 4-[3-(Hydroxymethyl)phenoxy]benzonitrile
[CAS] 888967-63-3
[Synonyms] Crisaborole-016 Criborol impurity DB2 Crisaborole Impurity 13 Crisaborole Impurity 25 4-[3-(Hydroxymethyl)phenoxy]benzonitrile Benzonitrile, 4-[3-(hydroxymethyl)phenoxy]-
[Molecular Formula] C14H11NO2
[MOL File] 888967-63-3.mol
[Molecular Weight] 225.24

Chemical Properties	Back Directory
[Melting point ] 57 - 59°C
[Boiling point ] 407.1±35.0 °C(Predicted)
[density ] 1.25±0.1 g/cm3(Predicted)
[storage temp. ] Refrigerator
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Solid
[pka] 14.19±0.10(Predicted)
[color ] White to Off-White
[InChI] InChI=1S/C14H11NO2/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,16H,10H2
[InChIKey] VTMHBWLXFTWTRR-UHFFFAOYSA-N
[SMILES] C(#N)C1=CC=C(OC2=CC=CC(CO)=C2)C=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H332-H335
[Precautionary statements ] P261-P280-P305+P351+P338

Hazard Information	Back Directory
[Uses] 4-[3-(Hydroxymethyl)phenoxy]benzonitrile can be synthesized from 4-(3-Formylphenoxy)benzonitrile (90178-72-6).

Spectrum Detail	Back Directory
[Spectrum Detail] 4-[3-(Hydroxymethyl)phenoxy]benzonitrile(888967-63-3)¹HNMR

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