Cas no 139541-39-2 (2-Pyrimidinamine, 4-chloro-6-(1,1-dimethylethyl)-5-nitro-)

2-Pyrimidinamine, 4-chloro-6-(1,1-dimethylethyl)-5-nitro- structure
139541-39-2 structure
Product Name:2-Pyrimidinamine, 4-chloro-6-(1,1-dimethylethyl)-5-nitro-
CAS No:139541-39-2
MF:C8H11ClN4O2
MW:230.65154004097
CID:1274820
Update Time:2024-08-03

2-Pyrimidinamine, 4-chloro-6-(1,1-dimethylethyl)-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinamine, 4-chloro-6-(1,1-dimethylethyl)-5-nitro-
    • Inchi: 1S/C8H11ClN4O2/c1-8(2,3)5-4(13(14)15)6(9)12-7(10)11-5/h1-3H3,(H2,10,11,12)
    • InChI Key: VNNMWZVHOOZLQP-UHFFFAOYSA-N
    • SMILES: C1(N)=NC(C(C)(C)C)=C([N+]([O-])=O)C(Cl)=N1

Computed Properties

  • Exact Mass: 230.05723

Experimental Properties

  • Density: 1.367±0.06 g/cm3(Predicted)
  • Boiling Point: 400.5±55.0 °C(Predicted)
  • PSA: 94.94
  • pka: 0.65±0.10(Predicted)
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