Phenthoate

CAS Registry Number®

2597-03-7
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CAS Name

Phenthoate

Molecular Formula

C12H17O4PS2

Molecular Mass

320.36

Cite this Page

Phenthoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2597-03-7 (retrieved 2024-06-25) (CAS RN: 2597-03-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    70-80 °C @ Press: 5 x 10-5-2 Torr
  • Melting Point (1)

    17-18 °C
  • Density (1)

    1.226 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/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3

InChIKey

InChIKey=XAMUDJHXFNRLCY-UHFFFAOYSA-N

SMILES

C(SP(OC)(OC)=S)(C(OCC)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OCC)C(SP(=S)(OC)OC)C=1C=CC=CC1

Other Names for this Substance

  • Benzeneacetic acid, α-[(dimethoxyphosphinothioyl)thio]-, ethyl ester
  • Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorodithioate
  • Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorodithioate
  • Acetic acid, mercaptophenyl-, ethyl ester O,O-dimethyl phosphorodithioate
  • Phosphorodithioic acid, O,O-dimethyl ester, S-ester with ethyl mercaptophenylacetate

Deleted or Replaced CAS Registry Numbers

61361-99-7, 75513-84-7

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