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Substance Name: Benzoic acid, p-nitrothio-, S-(p-tolyl) ester
RN: 28122-84-1
InChIKey: LMFTVBRXQOQHQC-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Nematocide

Molecular Formula

  • C14-H11-N-O3-S

Molecular Weight

  • 273.311
 
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Names and Synonyms

Synonyms

  • 4-09-00-01399 (Beilstein Handbook Reference)
  • BRN 2507646
  • S-(p-Tolyl) p-nitrothiobenzoate

Systematic Name

  • Benzoic acid, p-nitrothio-, S-(p-tolyl) ester

Registry Numbers

CAS Registry Number

  • 28122-84-1

System Generated Number

  • 0028122841

Structure Descriptors

InChI

1S/C14H11NO3S/c1-10-2-8-13(9-3-10)19-14(16)11-4-6-12(7-5-11)15(17)18/h2-9H,1H3

InChIKey

LMFTVBRXQOQHQC-UHFFFAOYSA-N

Smiles

c1(C(Sc2ccc(C)cc2)=O)ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1179, 1969.