ChemicalBook--->CAS DataBase List--->108511-97-3

108511-97-3

108511-97-3 Structure

108511-97-3 Structure
IdentificationBack Directory
[Name]

4-Aminoisoxazole
[CAS]

108511-97-3
[Synonyms]

4-Aminoisoxazole
Isoxazol-4-ylamine
1,2-oxazol-4-aMine
[Molecular Formula]

C3H4N2O
[MDL Number]

MFCD08234629
[MOL File]

108511-97-3.mol
[Molecular Weight]

84.08
Chemical PropertiesBack Directory
[Melting point ]

130-135 °C (decomp)
[Boiling point ]

234.7±13.0 °C(Predicted)
[density ]

1.241±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[pka]

1.88±0.10(Predicted)
[InChI]

InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2
[InChIKey]

CVCYZCBJCQXUCN-UHFFFAOYSA-N
[SMILES]

O1C=C(N)C=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[Uses]

4-Aminoisoxazole is a versatile reactant used in the design and synthesis of hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1''-P2'' amide bond isostere. It is also used in the development of pyrimidine derivatives as JAK3 inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Aminoisoxazole(108511-97-3)1HNMR
4-Aminoisoxazole(108511-97-3)1HNMR
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