ChemicalBook--->CAS DataBase List--->3919-86-6

3919-86-6

3919-86-6 Structure

3919-86-6 Structure
IdentificationBack Directory
[Name]

5-PHENYLISOXAZOLE-3-PROPIONIC ACID
[CAS]

3919-86-6
[Synonyms]

5-PHENYLISOXAZOLE-3-PROPIONIC ACID
5-Phenyl-3-isoxazolepropanoic Acid
3-Isoxazolepropanoic acid, 5-phenyl-
3-(5-Phenyl-isoxazol-3-yl)-propionic acid
JR-6934, 3-(5-Phenylisoxazol-3-yl)propanoic acid, 97%
[Molecular Formula]

C12H11NO3
[MDL Number]

MFCD08446785
[MOL File]

3919-86-6.mol
[Molecular Weight]

217.22
Chemical PropertiesBack Directory
[Melting point ]

163-165 °C
[Boiling point ]

420.9±30.0 °C(Predicted)
[density ]

1.243±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

4.26±0.10(Predicted)
[InChI]

1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3
[InChIKey]

QJPGMVFNIWHOIY-UHFFFAOYSA-N
[SMILES]

Cc1c(CO)cnn1-c2ccc(F)cc2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

5-Phenyl-3-isoxazolepropanoic acid is used as a reactant in the preparation of acetylenic ketones from acid anhydrides and sodium phenylacetylene.
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