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Substance Name: 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-
RN: 34848-28-7
InChIKey: BBYCIRCWUHSTIC-UHFFFAOYSA-N

Molecular Formula

  • C13-H14-F6-O2

Molecular Weight

  • 316.24
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
  • BRN 1997519
  • NSC 162193

Systematic Name

  • 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-

Registry Numbers

CAS Registry Number

  • 34848-28-7

System Generated Number

  • 0034848287

Structure Descriptors

InChI

1S/C13H14F6O2/c1-2-9(10(20)8-6-4-3-5-7-8)11(21,12(14,15)16)13(17,18)19/h3-7,9-10,20-21H,2H2,1H3

InChIKey

BBYCIRCWUHSTIC-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](c1ccccc1)O)CC)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08937,