Cas no 71571-36-3 (c9h4f9no6s3)

c9h4f9no6s3 structure
c9h4f9no6s3 structure
Product Name:c9h4f9no6s3
CAS No:71571-36-3
MF:C9H4F9NO6S3
MW:489.311790466309
CID:862675
Update Time:2024-03-06

c9h4f9no6s3 Chemical and Physical Properties

Names and Identifiers

    • c9h4f9no6s3
    • Benzenamine, 2,4,6-tris[(trifluoromethyl)sulfonyl]-
    • Inchi: 1S/C9H4F9NO6S3/c10-7(11,12)26(20,21)3-1-4(27(22,23)8(13,14)15)6(19)5(2-3)28(24,25)9(16,17)18/h1-2H,19H2
    • InChI Key: YCLWXDHIQVVRQB-UHFFFAOYSA-N
    • SMILES: C1(N)=C(S(C(F)(F)F)(=O)=O)C=C(S(C(F)(F)F)(=O)=O)C=C1S(C(F)(F)F)(=O)=O

Computed Properties

  • Exact Mass: 488.90572

Experimental Properties

  • Density: 1.837±0.06 g/cm3(Predicted)
  • Boiling Point: 536.4±50.0 °C(Predicted)
  • PSA: 128.44
  • pka: -13.98±0.16(Predicted)
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