Cas no 261359-85-7 (Isoquinoline, 1-chloro-8-ethyl-)

Isoquinoline, 1-chloro-8-ethyl- structure
261359-85-7 structure
Product Name:Isoquinoline, 1-chloro-8-ethyl-
CAS No:261359-85-7
MF:C11H10ClN
MW:191.656801700592
CID:1425480
Update Time:2024-08-15

Isoquinoline, 1-chloro-8-ethyl- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 1-chloro-8-ethyl-
    • Inchi: 1S/C11H10ClN/c1-2-8-4-3-5-9-6-7-13-11(12)10(8)9/h3-7H,2H2,1H3
    • InChI Key: DUDODYMECLQPDU-UHFFFAOYSA-N
    • SMILES: C1(Cl)C2=C(C=CC=C2CC)C=CN=1

Computed Properties

  • Exact Mass: 191.0503

Experimental Properties

  • Density: 1.186±0.06 g/cm3(Predicted)
  • Boiling Point: 319.5±22.0 °C(Predicted)
  • PSA: 12.89
  • pka: 2.28±0.50(Predicted)
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