Cas no 107586-81-2 (7-Benzothiazolamine,4-nitro-)

7-Benzothiazolamine,4-nitro- structure
7-Benzothiazolamine,4-nitro- structure
Product Name:7-Benzothiazolamine,4-nitro-
CAS No:107586-81-2
MF:C7H5N3O2S
MW:195.198499441147
CID:127607
Update Time:2024-01-25

7-Benzothiazolamine,4-nitro- Chemical and Physical Properties

Names and Identifiers

    • 7-Benzothiazolamine,4-nitro-
    • 7-Benzothiazolamine,4-nitro-(9CI)
    • 7-Benzothiazolamine, 4-nitro-
    • Inchi: 1S/C7H5N3O2S/c8-4-1-2-5(10(11)12)6-7(4)13-3-9-6/h1-3H,8H2
    • InChI Key: KXWSZDRGWMGWNM-UHFFFAOYSA-N
    • SMILES: S1C2=C(N)C=CC([N+]([O-])=O)=C2N=C1

Computed Properties

  • Exact Mass: 195.01035

Experimental Properties

  • Density: 1.621±0.06 g/cm3(Predicted)
  • Melting Point: 286 °C (decomp)
  • Boiling Point: 466.2±25.0 °C(Predicted)
  • PSA: 82.05
  • pka: -0.48±0.10(Predicted)
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