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Substance Name: Phenthoate oxon
RN: 3690-28-6
InChIKey: BPHVILLCQZUQEX-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-O5-P-S

Molecular Weight

  • 304.301
 
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Names and Synonyms

Name of Substance

  • Phenthoate oxon

Synonyms

  • 4-10-00-00586 (Beilstein Handbook Reference)
  • Acetic acid, mercaptophenyl-, ethyl ester, dimethyl phosphate (6CI)
  • AI3-23438
  • BRN 2756510
  • Phenthoate oxon

Systematic Names

  • Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorothioate
  • Benzeneacetic acid, alpha-((dimethoxyphosphinyl)thio)-, ethyl ester (9CI)

Registry Numbers

CAS Registry Number

  • 3690-28-6

System Generated Number

  • 0003690286

Structure Descriptors

InChI

1S/C12H17O5PS/c1-4-17-12(13)11(10-8-6-5-7-9-10)19-18(14,15-2)16-3/h5-9,11H,4H2,1-3H3

InChIKey

BPHVILLCQZUQEX-UHFFFAOYSA-N

Smiles

c1([C@@H](SP(OC)(OC)=O)C(OCC)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 63mg/kg (63mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 20, Pg. 944, 1972.