5,5-Dichlorobarbituric Acid
[CAS# 699-40-1]

Identification

• Name: 5,5-Dichlorobarbituric Acid
• Synonyms: 5,5-Dichlorohexahydropyrimidine-2,4,6-Trione; 5,5-Dichlorobarbituric Acid; Zinc02524496
• Molecular Formula: C₄H₂Cl₂N₂O₃
• Molecular Weight: 196.98
• CAS Registry Number: 699-40-1
• SMILES: O=C1C(C(=O)NC(=O)N1)(Cl)Cl
• InChI: 1S/C4H2Cl2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11)
• InChIKey: REGZNRJTBVIGMJ-UHFFFAOYSA-N

Properties

• Density: 1.84g/cm³ (Cal.)

References

• (1): Thomas Gelbrich, Denise Rossi, Clemens A. Häfele and Ulrich J. Griesser. Barbiturates with hydrogen-bonded layer and framework structures, CrystEngComm, 2011, 13, 5502.