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Substance Name: Benzo(b)thiophene, 3-nitro- (6CI,7CI,8CI,9CI)
RN: 17402-80-1
InChIKey: PIZRWAZBFNMVMW-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-N-O2-S

Molecular Weight

  • 179.199
 
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Names and Synonyms

Synonyms

  • 3-Nitrobenzo(b)thiophene
  • 3-Nitrobenzothiophene
  • 3-Nitrothianaphthene
  • 5-17-02-00013 (Beilstein Handbook Reference)
  • AI3-18387
  • BRN 0135966
  • NSC 3747
  • Thianaphthene, 3-nitro-

Systematic Names

  • Benzo(b)thiophene, 3-nitro-
  • Benzo(b)thiophene, 3-nitro- (6CI,7CI,8CI,9CI)
  • Benzothiophene, 3-nitro-

Registry Numbers

CAS Registry Number

  • 17402-80-1

System Generated Number

  • 0017402801

Structure Descriptors

InChI

1S/C8H5NO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H

InChIKey

PIZRWAZBFNMVMW-UHFFFAOYSA-N

Smiles

c12c(scc1[N+](=O)[O-])cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 63, 1954.
mouse LDLo parenteral 600mg/kg (600mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 695, 1955.