Chlorthion

CAS Registry Number®

500-28-7

CAS Name

Chlorthion

Molecular Formula

C8H9ClNO5PS

Molecular Mass

297.65

Cite this Page

Chlorthion.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=500-28-7 (retrieved 2024-11-22) (CAS RN: 500-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    136 °C @ Press: 0.23 Torr

  • Melting Point (1)

    21 °C

  • Density (1)

    1.437 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3

InChIKey

InChIKey=NZNRRXXETLSZRO-UHFFFAOYSA-N

SMILES

O(P(OC)(OC)=S)C1=CC(Cl)=C(N(=O)=O)C=C1

Canonical SMILES

O=N(=O)C1=CC=C(OP(=S)(OC)OC)C=C1Cl

Other Names for this Substance

  • Phosphorothioic acid, O-(3-chloro-4-nitrophenyl) O,O-dimethyl ester
  • Phosphorothioic acid, O-(3-chloro-4-nitrophenyl) O,O-di-Me ester
  • OMS 217
  • O-(3-Chloro-4-nitrophenyl) O,O-dimethyl phosphorothioate
  • Chlorothion

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