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Substance Name: Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester
RN: 73688-64-9
InChIKey: JWCNRYWLPDNWJJ-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-Br3-N-O5-S

Molecular Weight

  • 467.9154
 
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Names and Synonyms

Synonyms

  • 2,2,2-Tribromoethyl p-nitrobenzenesulfonate
  • 4-11-00-00189 (Beilstein Handbook Reference)
  • BRN 3430621

Systematic Name

  • Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester

Registry Numbers

CAS Registry Number

  • 73688-64-9

System Generated Number

  • 0073688649

Structure Descriptors

InChI

1S/C8H6Br3NO5S/c9-8(10,11)5-17-18(15,16)7-3-1-6(2-4-7)12(13)14/h1-4H,5H2

InChIKey

JWCNRYWLPDNWJJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1[N+](=O)[O-])S(=O)(=O)OCC(Br)(Br)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01540,