ChemicalBook--->CAS DataBase List--->939-05-9

939-05-9

939-05-9 Structure

939-05-9 Structure
IdentificationBack Directory
[Name]

3(2H)-Isoxazolone,5-phenyl-(9CI)
[CAS]

939-05-9
[Synonyms]

5-phenyl-3-Isoxazolol
5-phenylisoxazol-3-one
5-PHENYL-1,2-OXAZOL-3-OL
5-phenyl-1,2-oxazol-3-one
5-Phenylisoxazol-3(2H)-one
3-Hydroxy-5-phenylisoxazole
5-Phenyl-3-hydroxyisoxazole
5-phenyl-4-Isoxazolin-3-one
3(2H)-Isoxazolone, 5-phenyl-
3-hydroxy-5-phenylisooxazole
β-3-Hydroxy-5-phenylisoxazole
3(2H)-Isoxazolone,5-phenyl-(9CI)
3-Hydroxy-5-phenylisoxazole(α-form)
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD00956392
[MOL File]

939-05-9.mol
[Molecular Weight]

161.16
Chemical PropertiesBack Directory
[Melting point ]

163-164 °C
[density ]

1.261±0.06 g/cm3(Predicted)
[solubility ]

soluble in Dichloromethane
[form ]

Solid
[pka]

12.07±0.40(Predicted)
[color ]

Light Pink
[InChI]

1S/C9H7NO2/c11-9-6-8(12-10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
[InChIKey]

AFVFIJAYAFTQRB-UHFFFAOYSA-N
[SMILES]

OC1=NOC(C2=CC=CC=C2)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H315-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[WGK Germany ]

WGK 3
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

3-Hydroxy-5-phenylisoxazole is an intermediate for the synthesis of 5-Phenyl-3-isoxazolyl Sulfate Potassium (P335470), which is a metabolite of the insecticide Isoxathion (O,O-diethyl O-(5-phenyl-3-isoxazolyl)-phosphorothioate) in the rats.
[Definition]

ChEBI: 5-phenylisoxazol-3-ol is a member of isoxazoles and a heteroaryl hydroxy compound.
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