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Substance Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-ethyl-1-trifluoromethyl-
RN: 31185-63-4
InChIKey: SMKAOXUAWFSXSE-UHFFFAOYSA-N

Molecular Formula

  • C8-H11-F3-O3

Molecular Weight

  • 212.166
 
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Names and Synonyms

Synonyms

  • 4-Ethyl-1-trifluoromethyl-2,6,7-trioxabicyclo(2.2.2)octane
  • 5-19-09-00133 (Beilstein Handbook Reference)
  • BRN 1366196

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 31185-63-4

System Generated Number

  • 0031185634

Structure Descriptors

InChI

1S/C8H11F3O3/c1-2-6-3-12-8(13-4-6,14-5-6)7(9,10)11/h2-5H2,1H3

InChIKey

SMKAOXUAWFSXSE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1212, 1970.
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1212, 1970.