3-Nitro-1,2-phenylenediamine

dark red needle-like crystals

14 g of commercially available 1-amino-2, 5-dinitrobenzene was dissolved in 225 ml of methanol, to which a solution of 60 g of sodium sulfide and 21 g of sodium hydrogen carbonate dissolved in 240 g of water was added by use of a dropping funnel while keeping the reaction temperature at 60°C. After completion of the addition, agitation was continued at 60°C for 1 hour. After completion of the reaction, the mixture was cooled down to room temperature and filtered. m/z: (FD+) 153 (calculated 153. 1396) To a suspension of 8 (18 g, 79 mmol) in concd hydrochloric acid (225 mL), 70 mL of aqueous hydroiodic acid (57percent w/v, 70 mL) was added dropwise at room temperature with vigorous stirring. Synthesis

Molecular Weight:153.14
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:153.053826475
Monoisotopic Mass:153.053826475
Topological Polar Surface Area:97.9
Heavy Atom Count:11
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes