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Substance Name: Benzo(b)thiophene, 2,4,5,6,7,7a-hexahydro-2,2,3-trifluoro-7a-methyl-
RN: 100333-45-7
InChIKey: XUQQKAFRTLETGP-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-F3-S

Molecular Weight

  • 208.246
 
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Names and Synonyms

Synonym

  • 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7-hexahydrobenzothiophene

Systematic Name

  • Benzo(b)thiophene, 2,4,5,6,7,7a-hexahydro-2,2,3-trifluoro-7a-methyl-

Registry Numbers

CAS Registry Number

  • 100333-45-7

System Generated Number

  • 0100333457

Structure Descriptors

InChI

1S/C9H11F3S/c1-8-5-3-2-4-6(8)7(10)9(11,12)13-8/h2-5H2,1H3

InChIKey

XUQQKAFRTLETGP-UHFFFAOYSA-N

Smiles

C=12[C@@](SC(F)(F)C1F)(CCCC2)C

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#09708,