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Substance Name: 1,3-Butanediol, 1-(p-anisyl)-2-methyl-4,4,4-trifluoro-3-(trifluoromethyl)-
RN: 34848-35-6
InChIKey: CPGVZBGRVUGICW-UHFFFAOYSA-N

Molecular Formula

  • C13-H14-F6-O3

Molecular Weight

  • 332.239
 
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Names and Synonyms

Synonyms

  • 1-(p-Anisyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
  • BRN 2005033
  • NSC 162189

Systematic Name

  • 1,3-Butanediol, 1-(p-anisyl)-2-methyl-4,4,4-trifluoro-3-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 34848-35-6

System Generated Number

  • 0034848356

Structure Descriptors

InChI

1S/C13H14F6O3/c1-7(11(21,12(14,15)16)13(17,18)19)10(20)8-3-5-9(22-2)6-4-8/h3-7,10,20-21H,1-2H3

InChIKey

CPGVZBGRVUGICW-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](c1ccc(OC)cc1)O)C)(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#08931,