5-Hydroxy-4-Phenyl-1,2-Oxazol-3(2H)-One Hydrate (2:1)
[CAS# 111943-85-2]

Identification

• Name: 5-Hydroxy-4-Phenyl-1,2-Oxazol-3(2H)-One Hydrate (2:1)
• Synonyms: 3,5-DIHYDROXY-4-PHENYLISOXAZOLE HEMIHYDRATE; bis(4-phenyl-1,2-oxazole-3,5-diol) hydrate
• Molecular Formula: C₁₈H₁₆N₂O₇
• Molecular Weight: 372.33
• CAS Registry Number: 111943-85-2
• SMILES: O=C2C(/c1ccccc1)=C(/O)ON2.O=C2C(/c1ccccc1)=C(/O)ON2.O
• InChI: 1S/2C9H7NO3.H2O/c2*11-8-7(9(12)13-10-8)6-4-2-1-3-5-6;/h2*1-5,12H,(H,10,11);1H2
• InChIKey: XWDKLCUGBPFJQA-UHFFFAOYSA-N

Properties

• Boiling point: 703.8°C at 760 mmHg (Cal.)
• Flash point: 379.4°C (Cal.)
• Refractive index: (Cal.)