5-Methyl-3,4-diphenylisoxazole , >98.0%(GC) , 37928-17-9

CAS NO.：37928-17-9

Empirical Formula: C16H13NO

Molecular Weight: 235.28

MDL number: MFCD18449672

EINECS: 1592732-453-0

PRODUCT Properties

• Melting point: 96.0 to 100.0 °C
• Boiling point: 340.1±21.0 °C(Predicted)
• Density: 1.108±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: -2.53±0.50(Predicted)
• color: White to Off-White
• InChI: InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3
• InChIKey: ZXIRUKJWLADSJS-UHFFFAOYSA-N
• SMILES: O1C(C)=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1

Description and Uses

5-Methyl-3,4-diphenylisoxazole is a reagent for the preparation of valdecoxib and valdecoxib analogues.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
• HS Code: 2934.99.4400