Phosalone

CAS Registry Number®

2310-17-0
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CAS Name

Phosalone

Molecular Formula

C12H15ClNO4PS2

Molecular Mass

367.81

Cite this Page

Phosalone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2310-17-0 (retrieved 2024-07-14) (CAS RN: 2310-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    47.5-48 °C
  • Density (2)

    1.39 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)

Other Names and Identifiers

InChI

InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3

InChIKey

InChIKey=IOUNQDKNJZEDEP-UHFFFAOYSA-N

SMILES

C(SP(OCC)(OCC)=S)N1C=2C(OC1=O)=CC(Cl)=CC2

Canonical SMILES

O=C1OC2=CC(Cl)=CC=C2N1CSP(=S)(OCC)OCC

Other Names for this Substance

  • Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester
  • Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
  • NIA 9241
  • RP 11974
  • O,O-Diethyl S-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate

Deleted or Replaced CAS Registry Numbers

11129-09-2, 12650-35-0, 29562-46-7, 54182-71-7