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Substance Name: 1-Propanol, 2-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) (9CI)
RN: 62291-95-6
InChIKey: JPBYZIPRNBTADS-UHFFFAOYSA-N

Molecular Formula

  • C11-H15-N-O5-S

Molecular Weight

  • 273.307
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-nitro-1-propyltosylate
  • 3-11-00-00190 (Beilstein Handbook Reference)
  • BRN 0890601

Systematic Names

  • 1-Propanol, 2-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) (9CI)
  • p-Toluenesulfonic acid, (2-methyl-2-nitro)propyl ester

Registry Numbers

CAS Registry Number

  • 62291-95-6

System Generated Number

  • 0062291956

Structure Descriptors

InChI

1S/C11H15NO5S/c1-9-4-6-10(7-5-9)18(15,16)17-8-11(2,3)12(13)14/h4-7H,8H2,1-3H3

InChIKey

JPBYZIPRNBTADS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,