5-Methylisoxazole-4-carboxylic Acid , 98% , 42831-50-5

CAS NO.：42831-50-5

Empirical Formula: C5H5NO3

Molecular Weight: 127.1

MDL number: MFCD00955655

EINECS: 1312995-182-4

PRODUCT Properties

• Melting point: 144-148 °C(lit.)
• Boiling point: 308.3±22.0 °C(Predicted)
• Density: 1.348±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 2.85±0.25(Predicted)
• color: White to Pale Brown
• BRN: 116000
• InChI: 1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)
• InChIKey: VQBXUKGMJCPBMF-UHFFFAOYSA-N
• SMILES: Cc1oncc1C(O)=O
• CAS DataBase Reference: 42831-50-5(CAS DataBase Reference)

Description and Uses

5-Methylisoxazole-4-carboxylic Acid (Leflunomide EP Impurity D) is an intermediate for synthesis of Leflunomide (L322750). Herbicidal activities towards Digitaria ciliaris.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• PPE: Eyeshields, Gloves, type N95 (US)
• Hazard Codes: Xi,F
• Risk Statements: 36/37/38-37/38-36-10
• Safety Statements: 22-26-36/37/39-36-16
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29349990
• Storage Class: 11 - Combustible Solids
• REACH Registrations: Active