5-Methylisoxazole-3-carboxylic acid , ≥98.0% , 3405-77-4

Synonym(s):
3-Carboxy-5-methylisoxazole;5-Methyl-3-isoxazolecarboxylic acid

CAS NO.：3405-77-4

Empirical Formula: C5H5NO3

Molecular Weight: 127.1

MDL number: MFCD01318162

EINECS: 222-289-4

PRODUCT Properties

• Melting point: 168 °C
• Boiling point: 312.5±22.0 °C(Predicted)
• Density: 1.348±0.06 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 3.46±0.10(Predicted)
• color: Off-White to Pale Beige
• BRN: 114094
• InChI: InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
• InChIKey: BNMPIJWVMVNSRD-UHFFFAOYSA-N
• SMILES: O1C(C)=CC(C(O)=O)=N1
• CAS DataBase Reference: 3405-77-4(CAS DataBase Reference)

Description and Uses

Reactant for:

• Click/aza-Michael or Click/oligomeric alkyl carbodiimide esterification reactions
• Preparation of aminopyrazole amide derivatives as Raf kinase inhibitors in melanoma cells
• Preparation of trifluoromethoxyphenyl(thiazolyl)pyrroles and other heterocycle-bearing polyfunctionalized pyrroles via chain heterocyclization

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29339900