ChemicalBook--->CAS DataBase List--->181696-73-1

181696-73-1

181696-73-1 Structure

181696-73-1 Structure
IdentificationBack Directory
[Name]

5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL
[CAS]

181696-73-1
[Synonyms]

Parecoxib Impurity 3
Parecoxib SodiuM IMpurity U
5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL
4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol
5-Isoxazolol,4,5-dihydro-5-Methyl-3,4-diphenyl-
(5S)-5-Methyl-3,4-diphenyl-4,5-dihydroisoxazol-5-ol
[EINECS(EC#)]

443-400-4
[Molecular Formula]

C16H15NO2
[MDL Number]

MFCD08693218
[MOL File]

181696-73-1.mol
[Molecular Weight]

253.3
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Boiling point ]

401℃
[density ]

1.16
[Fp ]

196℃
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.97±0.60(Predicted)
[color ]

White to Pale Yellow
[InChI]

InChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3
[InChIKey]

LOFHVOCXHGAVHL-UHFFFAOYSA-N
[SMILES]

O1C(C)(O)C(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1
[CAS DataBase Reference]

181696-73-1
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Intermediate for the preparation of Valdecoxib
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[REACH Registrations]

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