ChemicalBook--->CAS DataBase List--->1076-59-1

1076-59-1

1076-59-1 Structure

1076-59-1 Structure
IdentificationMore
[Name]

3-PHENYL-5-ISOXAZOLONE
[CAS]

1076-59-1
[Synonyms]

3-PHENYL-4,5-DIHYDROISOXAZOL-5-ONE
3-PHENYL-5(4H)-ISOXAZOLONE
3-PHENYL-5-ISOXAZOLONE
3-PHENYLISOXAZOL-5-ONE
AKOS B029824
4,5-dihydro-3-phenylisoxazol-5-one
3-Phenyl-5-isoxazolone, 99+%
5(4H)-Isoxazolone,3-phenyl-(9CI)
5(4H)-ISOXAZOLONE,3-PHENYL-
3-Phenyl-2-isoxazolin-5-one
3-Phenylisoxazol-5(4H)-one
[EINECS(EC#)]

214-064-4
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD00003158
[Molecular Weight]

161.16
[MOL File]

1076-59-1.mol
Chemical PropertiesBack Directory
[Appearance]

light beige to pink crystalline solid
[Melting point ]

155-158 °C(lit.)
[Boiling point ]

248.1±23.0℃ (760 Torr)
[density ]

1.25±0.1 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5050 (estimate)
[Fp ]

117.8±17.1℃
[storage temp. ]

Store at room temperature
[form ]

Crystalline Solid
[color ]

Light beige to pink
[BRN ]

5075
[InChI]

1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
[InChIKey]

IHKNLPPRTQQACK-UHFFFAOYSA-N
[SMILES]

O=C1CC(=NO1)c2ccccc2
[CAS DataBase Reference]

1076-59-1(CAS DataBase Reference)
[EPA Substance Registry System]

5(4H)-Isoxazolone, 3-phenyl- (1076-59-1)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

light beige to pink crystalline solid
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENYL-5-ISOXAZOLONE(1076-59-1)MS
3-PHENYL-5-ISOXAZOLONE(1076-59-1)1HNMR
3-PHENYL-5-ISOXAZOLONE(1076-59-1)13CNMR
3-PHENYL-5-ISOXAZOLONE(1076-59-1)IR1
3-PHENYL-5-ISOXAZOLONE(1076-59-1)IR2
3-PHENYL-5-ISOXAZOLONE(1076-59-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Phenyl-5-isoxazolone, 97%(1076-59-1)
[Alfa Aesar]

3-Phenyl-5-isoxazolone, 98%(1076-59-1)
[Sigma Aldrich]

1076-59-1(sigmaaldrich)
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1076-59-1