Pyrazolate

CAS Registry Number®

58011-68-0

CAS Name

Pyrazolate

Molecular Formula

C19H16Cl2N2O4S

Molecular Mass

439.31

Cite this Page

Pyrazolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58011-68-0 (retrieved 2024-11-24) (CAS RN: 58011-68-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3

InChIKey

InChIKey=ASRAWSBMDXVNLX-UHFFFAOYSA-N

SMILES

C(=O)(C1=C(OS(=O)(=O)C2=CC=C(C)C=C2)N(C)N=C1C)C3=C(Cl)C=C(Cl)C=C3

Canonical SMILES

O=C(C1=CC=C(Cl)C=C1Cl)C=2C(=NN(C2OS(=O)(=O)C3=CC=C(C=C3)C)C)C

Other Names for this Substance

  • Methanone, (2,4-dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]-
  • (2,4-Dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]methanone
  • SW 751
  • Pyrazolate
  • A 544

View All

Deleted or Replaced CAS Registry Numbers

103678-91-7

CAS INSIGHTSTM
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