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888967-63-3

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888967-63-3 Structure

888967-63-3 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

4-[3-(Hydroxymethyl)phenoxy]benzonitrile can be synthesized from 4-(3-Formylphenoxy)benzonitrile (90178-72-6).
Spectrum DetailBack Directory
[Spectrum Detail]

4-[3-(Hydroxymethyl)phenoxy]benzonitrile(888967-63-3)1HNMR
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