5,5-DIBROMOBARBITURIC ACID

5,5-DIBROMOBARBITURIC ACID structure
Structural Feature
Reactive Feature
Application Context
CAS Number511-67-1
EC/List No.208-131-7
Molecular FormulaC4H2Br2N2O3
Molecular Weight285.88 g/mol
AppearanceWhite to off-white crystalline solid
Melting Point240-242 °C (dec., lit.)
Refractive Index1.6220 (estimate)
SMILESO=C1NC(=O)C(Br)(Br)C(=O)N1
InChIKeyAMATXUCYHHHHHB-UHFFFAOYSA-N
Description5,5-Dibromobarbituric acid, a dibrominated barbituric acid derivative. Used as a brominating agent for oxidative bromodecarboxylation or alkene addition.
ApplicationsPharmaceutical intermediate; barbituric acid; brominating agent
Hazard ClassSkin Corr. 1B; Eye Dam. 1
Hazard StatementsH314; H318
Precautionary StatementsP260; P264; P280; P301+P330+P331; P303+P361+P353; P304+P340+P310; P305+P351+P338+P310; P321; P363; P390; P405; P406; P501

Calculated / Predicted Properties

Estimated Density2.569 g/cm³ (predicted)