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Substance Name: Orthobenzoic acid, pentafluoro-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
RN: 97720-26-8
InChIKey: WKHKKXYZSKBXBN-UHFFFAOYSA-N

Molecular Formula

  • C14-H13-F5-O3

Molecular Weight

  • 324.244
 
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Names and Synonyms

Synonyms

  • 1-(Pentafluorophenyl)-4-isopropylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1-methylethyl)-1-(pentafluorophenyl)-

Systematic Name

  • Orthobenzoic acid, pentafluoro-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-26-8

System Generated Number

  • 0097720268

Structure Descriptors

InChI

1S/C14H13F5O3/c1-6(2)13-3-20-14(21-4-13,22-5-13)7-8(15)10(17)12(19)11(18)9(7)16/h6H,3-5H2,1-2H3

InChIKey

WKHKKXYZSKBXBN-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)C)c1c(c(c(c(c1F)F)F)F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3500ug/kg (3.5mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.