Quinonamid
[CAS# 27541-88-4]

Identification

• Name: Quinonamid
• Synonyms: 2,2-Dichloro-N-(3-Chloro-1,4-Dioxo-2-Naphthyl)Acetamide; 2,2-Dichloro-N-(3-Chloro-1,4-Diketo-2-Naphthyl)Acetamide; 2,2-Dichloro-N-(3-Chloro-1,4-Dioxo-Naphthalen-2-Yl)Ethanamide
• Molecular Formula: C₁₂H₆Cl₃NO₃
• Molecular Weight: 318.54
• CAS Registry Number: 27541-88-4
• EINECS: 248-516-7
• SMILES: C1=CC=CC2=C1C(C(=C(C2=O)Cl)NC(C(Cl)Cl)=O)=O
• InChI: 1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)
• InChIKey: ZIEWAMOXCOLNSJ-UHFFFAOYSA-N

Properties

• Density: 1.622g/cm³ (Cal.)
• Boiling point: 458.779°C at 760 mmHg (Cal.)
• Flash point: 231.262°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493