CAS 1156508-87-0: N,N′-Bis(4-nitrophenyl-2,3,5,6-d<sub>4</sub>)urea
Description:N,N′-Bis(4-nitrophenyl-2,3,5,6-d4)urea is a synthetic organic compound characterized by its urea functional group and the presence of two 4-nitrophenyl substituents. The "d4" notation indicates that the compound contains deuterium, a stable isotope of hydrogen, which replaces some of the hydrogen atoms in the phenyl rings. This substitution can influence the compound's physical and chemical properties, such as its solubility and reactivity. The presence of nitro groups (-NO2) on the phenyl rings contributes to the compound's electron-withdrawing characteristics, which can affect its behavior in chemical reactions, particularly in electrophilic aromatic substitution. The compound is likely to be used in research applications, possibly in studies involving isotopic labeling or as a precursor in organic synthesis. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular structure and the interactions between its functional groups. Safety data and handling precautions should be consulted due to the potential hazards associated with nitro compounds.
Formula:C13H2D8N4O5
InChI:InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)/i1D,2D,3D,4D,5D,6D,7D,8D
InChI key:InChIKey=JEZZOKXIXNSKQD-PGRXLJNUSA-N
SMILES:O=C(NC1=CC=C(C=C1)N(=O)=O)NC2=CC=C(C=C2)N(=O)=O
