Isoxathion

CAS Registry Number®

18854-01-8
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CAS Name

Isoxathion

Molecular Formula

C13H16NO4PS

Molecular Mass

313.31

Cite this Page

Isoxathion.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=18854-01-8 (retrieved 2024-06-21) (CAS RN: 18854-01-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160 °C @ Press: 0.15 Torr
  • Melting Point (2)

    <25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChIKey

InChIKey=SDMSCIWHRZJSRN-UHFFFAOYSA-N

SMILES

O(P(OCC)(OCC)=S)C=1C=C(ON1)C2=CC=CC=C2

Canonical SMILES

S=P(OC1=NOC(=C1)C=2C=CC=CC2)(OCC)OCC

Other Names for this Substance

  • Phosphorothioic acid, O,O-diethyl O-(5-phenyl-3-isoxazolyl) ester
  • 3-Isoxazolol, 5-phenyl-, O-ester with O,O-diethyl phosphorothioate
  • Isoxathion
  • Karphos

Deleted or Replaced CAS Registry Numbers

12798-15-1

CAS INSIGHTSTM
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