Cas no 142576-97-4 (Benzoic acid,2,6-dichloro-3-[[[2-(dimethylamino)ethyl]methylamino]sulfonyl]-)

Benzoic acid,2,6-dichloro-3-[[[2-(dimethylamino)ethyl]methylamino]sulfonyl]- structure
142576-97-4 structure
Product Name:Benzoic acid,2,6-dichloro-3-[[[2-(dimethylamino)ethyl]methylamino]sulfonyl]-
CAS No:142576-97-4
MF:C12H16Cl2N2O4S
MW:355.237440109253
CID:1311274
Update Time:2024-08-18

Benzoic acid,2,6-dichloro-3-[[[2-(dimethylamino)ethyl]methylamino]sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2,6-dichloro-3-[[[2-(dimethylamino)ethyl]methylamino]sulfonyl]-
    • Benzoic acid, 2,6-dichloro-3-[[[2-(dimethylamino)ethyl]methylamino]sulfonyl]-
    • Inchi: 1S/C12H16Cl2N2O4S/c1-15(2)6-7-16(3)21(19,20)9-5-4-8(13)10(11(9)14)12(17)18/h4-5H,6-7H2,1-3H3,(H,17,18)
    • InChI Key: KRALYVVECPOGCD-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=C(Cl)C=CC(S(N(CCN(C)C)C)(=O)=O)=C1Cl

Computed Properties

  • Exact Mass: 354.02098

Experimental Properties

  • Density: 1.431±0.06 g/cm3(Predicted)
  • Boiling Point: 485.5±55.0 °C(Predicted)
  • PSA: 77.92
  • pka: 1.12±0.25(Predicted)
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