4-METHYL-3-NITROPHENYL ISOCYANATE

• CAT Number: M054563
• CAS Number: 13471-69-7
• Molecular Formula: C8H6N2O3
• Molecular Weight: 178.147
• Purity: ≥95%
• Synonyms: 4-Methyl-3-nitrophenyl isocyanate; 2-Nitro-4-isocyanatotoluene; 4-isocyanato-1-methyl-2-nitrobenzene
• Storage: Store at -20°C
• IUPAC Name: 4-isocyanato-1-methyl-2-nitrobenzene
• InChI: InChI=1S/C8H6N2O3/c1-6-2-3-7(9-5-11)4-8(6)10(12)13/h2-4H,1H3
• InChIKey: OIORBBLUSMONPW-UHFFFAOYSA-N
• SMILES: CC1=C(C=C(C=C1)N=C=O)[N+](=O)[O-]

4-METHYL-3-NITROPHENYL ISOCYANATE (CAS 13471-69-7) is a very useful agent used in chemical synthesis. 

Reference

1. Chemical research in toxicology. 2001 Dec 17;14(12):1573-83.Sabbioni G, Hartley R, Schneider S. Synthesis of adducts with amino acids as potential dosimeters for the biomonitoring of humans exposed to toluenediisocyanate.