Stirimazole
[CAS# 30529-16-9]

Identification

• Name: Stirimazole
• Synonyms: 4-[(E)-2-(1-Ethenyl-5-Nitroimidazol-2-Yl)Ethenyl]Benzoic Acid; 4-[(E)-2-(5-Nitro-1-Vinyl-Imidazol-2-Yl)Vinyl]Benzoic Acid; 4-[2-(5-Nitro-1-Vinyl-Imidazol-2-Yl)Vinyl]Benzoic Acid
• Molecular Formula: C₁₄H₁₁N₃O₄
• Molecular Weight: 285.26
• CAS Registry Number: 30529-16-9
• SMILES: C1=C([N](C(=N1)\C=C\C2=CC=C(C(O)=O)C=C2)C=C)[N+](=O)[O-]
• InChI: 1S/C14H11N3O4/c1-2-16-12(15-9-13(16)17(20)21)8-5-10-3-6-11(7-4-10)14(18)19/h2-9H,1H2,(H,18,19)/b8-5+
• InChIKey: RBNZISNWCHORNF-VMPITWQZSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 587.513°C at 760 mmHg (Cal.)
• Flash point: 309.117°C (Cal.)