Cas no 33420-14-3 (Benzenesulfonic acid, 3-nitro-, propyl ester)

Benzenesulfonic acid, 3-nitro-, propyl ester structure
33420-14-3 structure
Product Name:Benzenesulfonic acid, 3-nitro-, propyl ester
CAS No:33420-14-3
MF:C9H11NO5S
MW:245.252341508865
CID:1457273
Update Time:2024-08-23

Benzenesulfonic acid, 3-nitro-, propyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 3-nitro-, propyl ester
    • Inchi: 1S/C9H11NO5S/c1-2-6-15-16(13,14)9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3
    • InChI Key: QIGMHEYJAYKOLJ-UHFFFAOYSA-N
    • SMILES: C1(S(OCCC)(=O)=O)=CC=CC([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 245.03583

Experimental Properties

  • Density: 1.344±0.06 g/cm3(Predicted)
  • Boiling Point: 375.9±25.0 °C(Predicted)
  • PSA: 86.51
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