Bromoxanide
[CAS# 41113-86-4]

Identification

• Name: Bromoxanide
• Synonyms: N-[4-Bromo-2-(Trifluoromethyl)Phenyl]-3-Tert-Butyl-2-Hydroxy-6-Methyl-5-Nitro-Benzamide; Bromoxanide (Usan); D03167
• Molecular Formula: C₁₉H₁₈BrF₃N₂O₄
• Molecular Weight: 475.26
• CAS Registry Number: 41113-86-4
• SMILES: C1=C(C(=C(C(=C1C(C)(C)C)O)C(NC2=C(C=C(Br)C=C2)C(F)(F)F)=O)C)[N+](=O)[O-]
• InChI: 1S/C19H18BrF3N2O4/c1-9-14(25(28)29)8-12(18(2,3)4)16(26)15(9)17(27)24-13-6-5-10(20)7-11(13)19(21,22)23/h5-8,26H,1-4H3,(H,24,27)
• InChIKey: WRPRKPMHLLGGIZ-UHFFFAOYSA-N

Properties

• Density: 1.527g/cm³ (Cal.)
• Boiling point: 456.016°C at 760 mmHg (Cal.)
• Flash point: 229.591°C (Cal.)