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Substance Name: Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
RN: 99-42-3
InChIKey: GNCWCTBHZCBXGL-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C8-H7-N-O5

Molecular Weight

  • 197.1453
 
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Names and Synonyms

Synonyms

  • 3-10-00-00378 (Beilstein Handbook Reference)
  • 4-Hydroxy-3-nitrobenzoic acid methyl ester
  • BRN 2115197
  • EINECS 202-755-3
  • Methyl 4-hydroxy-3-nitrobenzoate
  • NSC 28667

Systematic Names

  • Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
  • Methyl 4-hydroxy-3-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 99-42-3

System Generated Number

  • 0000099423

Structure Descriptors

InChI

1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3

InChIKey

GNCWCTBHZCBXGL-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(c(c1)[N+](=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 skin > 2gm/kg (2000mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0287-0657S,
rat LDLo oral 2500mg/kg (2500mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0287-0657S,