2-(3,4-Dichlorophenyl)-4-Methyl-1,2,4-Oxadiazolidine-3,5-Dione
[CAS# 20354-26-1]

Identification

• Name: 2-(3,4-Dichlorophenyl)-4-Methyl-1,2,4-Oxadiazolidine-3,5-Dione
• Synonyms: 2-(3,4-Dichlorophenyl)-4-Methyl-1,2,4-Oxadiazolidine-3,5-Quinone; 1,2,4-Oxadiazolidine-3,5-Dione, 2-(3,4-Dichlorophenyl)-4-Methyl-; 2-(3,4-Dichlorophenyl)-4-Methyl-1,2,4-Oxadiazolidinedione
• Molecular Formula: C₉H₆Cl₂N₂O₃
• Molecular Weight: 261.06
• CAS Registry Number: 20354-26-1
• EINECS: 243-761-6
• SMILES: C2=C(N1C(=O)N(C)C(O1)=O)C=CC(=C2Cl)Cl
• InChI: 1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
• InChIKey: LRUUNMYPIBZBQH-UHFFFAOYSA-N

Properties

• Density: 1.602g/cm³ (Cal.)
• Boiling point: 348.716°C at 760 mmHg (Cal.)
• Flash point: 164.698°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