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Substance Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-
RN: 31185-64-5
InChIKey: NQKXYABGFZEEMO-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-F3-O3

Molecular Weight

  • 226.193
 
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Names and Synonyms

Synonyms

  • 4-Propyl-1-trifluoromethyl-2,6,7-trioxabicycl(2.2.2)octane
  • 5-19-09-00136 (Beilstein Handbook Reference)
  • BRN 1367738

Systematic Name

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-

Registry Numbers

CAS Registry Number

  • 31185-64-5

System Generated Number

  • 0031185645

Structure Descriptors

InChI

1S/C9H13F3O3/c1-2-3-7-4-13-9(14-5-7,15-6-7)8(10,11)12/h2-6H2,1H3

InChIKey

NQKXYABGFZEEMO-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CCC)CO2)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1212, 1970.
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1212, 1970.