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Substance Name: 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
RN: 34848-25-4
InChIKey: FJTBLBJDWDDWKA-UHFFFAOYSA-N

Molecular Formula

  • C11-H9-F6-N-O4

Molecular Weight

  • 333.183
 
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Names and Synonyms

Synonyms

  • 1-(m-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
  • Benzyl alcohol, m-nitro-alpha-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-
  • BRN 2012266
  • NSC 162144

Systematic Name

  • 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-

Registry Numbers

CAS Registry Number

  • 34848-25-4

System Generated Number

  • 0034848254

Structure Descriptors

InChI

1S/C11H9F6NO4/c12-10(13,14)9(20,11(15,16)17)5-8(19)6-2-1-3-7(4-6)18(21)22/h1-4,8,19-20H,5H2

InChIKey

FJTBLBJDWDDWKA-UHFFFAOYSA-N

Smiles

C(C[C@@H](c1cc(ccc1)[N+](=O)[O-])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#08869,