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Substance Name: p-Toluenesulfonic acid, m-nitrophenyl ester
RN: 3899-90-9
InChIKey: QRMMIQVSVATYQP-UHFFFAOYSA-N

Molecular Formula

  • C13-H11-N-O5-S

Molecular Weight

  • 293.298
 
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Names and Synonyms

Synonyms

  • 3-Nitrophenyl tosylate
  • 4-11-00-00272 (Beilstein Handbook Reference)
  • AI3-03741
  • Benzenesulfonic acid, 4-methyl-, 3-nitrophenyl ester
  • BRN 2663852
  • m-Nitrophenyl tosylate

Systematic Names

  • Benzenesulfonic acid, 4-methyl-, 3-nitrophenyl ester
  • p-Toluenesulfonic acid, m-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 3899-90-9

System Generated Number

  • 0003899909

Structure Descriptors

InChI

1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3

InChIKey

QRMMIQVSVATYQP-UHFFFAOYSA-N

Smiles

S(Oc1cc([N+]([O-])=O)ccc1)(c1ccc(cc1)C)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 34, 1953.