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Substance Name: 1,3-Butanediol, 1-(2-furyl)-4,4,4-trifluoro-3-trifluoromethyl-
RN: 100991-87-5
InChIKey: GTTCBZHGVSTRQO-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-F6-O3

Molecular Weight

  • 278.147
 
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Names and Synonyms

Synonyms

  • alpha-(2-Hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-2-furanmethanol
  • alpha-(2-Hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)furfuryl alcohol
  • Furfuryl alcohol, alpha-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100991-87-5

System Generated Number

  • 0100991875

Structure Descriptors

InChI

1S/C9H8F6O3/c10-8(11,12)7(17,9(13,14)15)4-5(16)6-2-1-3-18-6/h1-3,5,16-17H,4H2

InChIKey

GTTCBZHGVSTRQO-UHFFFAOYSA-N

Smiles

C(C[C@@H](c1ccco1)O)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08805,