ChemicalBook--->CAS DataBase List--->19668-85-0

19668-85-0

19668-85-0 Structure

19668-85-0 Structure
IdentificationBack Directory
[Name]

3-METHYL-5-ISOXAZOLEACETIC ACID 98
[CAS]

19668-85-0
[Synonyms]

3-Methylisoxazole-5-acetic Acid
5-Isoxazoleacetic acid, 3-Methyl-
(3-Methylisoxazol-5-yl)acetic acid
5-(Carboxymethyl)-3-methylisoxazole
3-METHYL-5-ISOXAZOLEACETIC ACID 98
3-Methyl-5-isoxazoleacetic acid 98%
2-(3-methylisoxazol-5-yl)acetic acid
2-(3-methyl-1,2-oxazol-5-yl)acetic acid
[Molecular Formula]

C6H7NO3
[MDL Number]

MFCD01863539
[MOL File]

19668-85-0.mol
[Molecular Weight]

141.125
Chemical PropertiesBack Directory
[Melting point ]

101-104 °C(lit.)
[Boiling point ]

306.7±27.0 °C(Predicted)
[density ]

1.292±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

Fine Crystalline Powder or Needle-Like Crystals
[pka]

3.70±0.10(Predicted)
[color ]

White, darkens on exposure to light
[InChI]

InChI=1S/C6H7NO3/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)
[InChIKey]

POEFJFLAFQWOTL-UHFFFAOYSA-N
[SMILES]

O1C(CC(O)=O)=CC(C)=N1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Uses]

3-Methyl-5-isoxazoleacetic acid may be used as a reagent in the solid phase synthesis of von Hippel-Lindau protein (VHL) ligands. It may also be used to prepare (N-(4-chlorophenyl)-α-[[(4-chlorophenyl)amino]methylene]-3-methyl-5-isoxazoleacetamide).
[General Description]

3-Methyl-5-isoxazoleacetic acid is a substituted isoxazole.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-5-ISOXAZOLEACETIC ACID 98(19668-85-0)1HNMR
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