1,3-Bis(2,2,2-Trichloro-1-Hydroxyethyl)Urea
[CAS 116-52-9]

Identification

• Classification: Analytical chemistry >> Standard >> Pesticides, veterinary drugs and fertilizers
• Name: 1,3-Bis(2,2,2-Trichloro-1-Hydroxyethyl)Urea
• Synonyms: 1,3-Bis(2,2,2-Trichloro-1-Hydroxy-Ethyl)Urea; 45812_Riedel; Dichlorolurea
• Molecular Formula: C₅H₆Cl₆N₂O₃
• Molecular Weight: 354.83
• CAS Registry Number: 116-52-9
• EINECS: 204-144-7
• SMILES: O=C(NC(C(Cl)(Cl)Cl)O)NC(C(Cl)(Cl)Cl)O
• InChI: 1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)
• InChIKey: PPJXIHLNYDVTDI-UHFFFAOYSA-N

Properties

• Density: 1.868g/cm³ (Cal.)
• Boiling point: 451.119°C at 760 mmHg (Cal.)
• Flash point: 226.629°C (Cal.)

References

• (1): Michele Aresta, Angela Dibenedetto, Paolo Stufano, Brunella Maria Aresta, Sabino Maggi, Imre Pápai, Tibor András Rokob and Bartolo Gabriele. The solid state structure and reactivity of NbCl5·(N,N′-dicyclohexylurea) in solution: evidence for co-ordinated urea dehydration to the relevant carbodiimide, Dalton Trans., 2010, 39, 6985.