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Substance Name: Boric acid, cyclic 1-tert-butyl-3,3-bis(trifluoromethyl)trimethylene ethyl ester
RN: 100991-78-4
InChIKey: WQBJAVALEDDXNF-UHFFFAOYSA-N

Molecular Formula

  • C11-H17-B-F6-O3

Molecular Weight

  • 322.051
 
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Names and Synonyms

Synonyms

  • 1,3,2-Dioxaborinane, 6-tert-butyl-2-methoxy-4,4-bis(trifluoromethyl)-
  • 6-tert-Butyl-2-methoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane

Systematic Name

  • Boric acid, cyclic 1-tert-butyl-3,3-bis(trifluoromethyl)trimethylene ethyl ester

Registry Numbers

CAS Registry Number

  • 100991-78-4

System Generated Number

  • 0100991784

Structure Descriptors

InChI

1S/C11H17BF6O3/c1-5-19-12-20-7(8(2,3)4)6-9(21-12,10(13,14)15)11(16,17)18/h7H,5-6H2,1-4H3

InChIKey

WQBJAVALEDDXNF-UHFFFAOYSA-N

Smiles

C1(C[C@@H](OB(O1)OCC)C(C)(C)C)(C(F)(F)F)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09394,