1,3-Bis(4-nitrophenyl)urea-d8

• CAT Number: R013212
• CAS Number: 1156508-87-0
• Molecular Formula: C13H10N4O5
• Molecular Weight: 310.295
• Purity: ≥95%
• Synonyms: N,N’-Bis(p-nitrophenyl)urea-d8; 4,4’-Dinitrocarbanilide-d8; 4,4’-Dinitrodiphenylurea-d8; DNC-d8; N,N’-Di(p-nitrophenyl)urea-d8; NSC 101086-d8
• Storage: -20°C
• IUPAC Name: 1,3-bis(2,3,5,6-tetradeuterio-4-nitrophenyl)urea
• 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
• InChIKey: JEZZOKXIXNSKQD-PGRXLJNUSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1NC(=O)NC2=C(C(=C(C(=C2[2H])[2H])[N+](=O)[O-])[2H])[2H])[2H])[2H])[N+](=O)[O-])[2H]

1,3-Bis(4-nitrophenyl)urea-d8 is a deuterated derivative of 1,3-bis(4-nitrophenyl)urea, with eight hydrogen atoms replaced by deuterium. This compound is used in advanced chemical research, particularly in studying reaction mechanisms and kinetic isotope effects. The deuterium labeling enhances the accuracy of tracking and analysis in NMR spectroscopy and mass spectrometry, making it a valuable tool in organic and material chemistry. 1,3-Bis(4-nitrophenyl)urea itself is known for its role as an intermediate in the synthesis of various organic compounds and in the study of molecular interactions, especially in the context of urea-based chemical systems.