4-​Nitrophenyl Isocyanate (1-Isocyanato-4-nitrobenzene)

CAS: 100-28-7

Ref. TR-I798270

Product Information

• Name: 4-​Nitrophenyl Isocyanate (1-Isocyanato-4-nitrobenzene)
• Synonyms: Isocyanic Acid p-Nitrophenyl Ester, 1-Nitro-4-isocyanatobenzene, NSC 9800, p-Nitrophenyl isocyanate
• Brand: TRC
• Description: Applications 1-Isocyanato-4-nitrobenzene is a useful synthetic intermediate. It can be used as a reactant in the synthesis of potent human NK1 tachykinin receptor antagonist. It can also be used to prepare N-{2-[(7-chloroquinolin-4-yl)amino]ethyl}ureas with antiprotozoal and antimycobacterial activities. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Walpole, C., et al.: J. Med. Chem., 41, 3159 (1998); Nava-Zuazo, C., et al.: Bioorg. Med. Chem., 18, 6398 (2010)

Chemical properties

• Molecular weight: 164.12
• Formula: C₇H₄N₂O₃
• Color/Form: Neat
• InChI: InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
• SMILES: O=C=Nc1ccc([N+](=O)[O-])cc1