Carnidazole
[CAS# 42116-76-7]

Identification

• Name: Carnidazole
• Synonyms: O-Methyl [2-(2-Methyl-5-Nitro-Imidazol-1-Yl)Ethylamino]Methanethioate; [2-(2-Methyl-5-Nitro-1-Imidazolyl)Ethylamino]Methanethioic Acid O-Methyl Ester; [2-(2-Methyl-5-Nitro-Imidazol-1-Yl)Ethylamino]Methanethioic Acid O-Methyl Ester
• Molecular Formula: C₈H₁₂N₄O₃S
• Molecular Weight: 244.27
• CAS Registry Number: 42116-76-7
• EINECS: 255-663-0
• SMILES: C1=C([N](C(=N1)C)CCNC(OC)=S)[N+](=O)[O-]
• InChI: 1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)4-3-9-8(16)15-2/h5H,3-4H2,1-2H3,(H,9,16)
• InChIKey: OVEVHVURWWTPFC-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 422.8±51.0°C at 760 mmHg (Cal.)
• Flash point: 209.5±30.4°C (Cal.)

References

• (1): G. Bernardinelli, T. Berclaz, M. Geoffroy and N. Rajalakshmi. Anhydrous Form of Carnidazole, C8H12N4O3S, Acta Cryst. (1995). C51, 1390-1392