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Substance Name: 1,3-Butanediol, 1-(p-chlorophenyl)-2-methyl-4,4,4-trifluoro-3-(trifluoromethyl)-
RN: 34848-30-1
InChIKey: OMUFZXVQZXEHBX-UHFFFAOYSA-N

Molecular Formula

  • C12-H11-Cl-F6-O2

Molecular Weight

  • 336.658
 
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Names and Synonyms

Synonyms

  • 1-(4-Chlorophenyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
  • BRN 2003451
  • NSC 162194

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 34848-30-1

System Generated Number

  • 0034848301

Structure Descriptors

InChI

1S/C12H11ClF6O2/c1-6(9(20)7-2-4-8(13)5-3-7)10(21,11(14,15)16)12(17,18)19/h2-6,9,20-21H,1H3

InChIKey

OMUFZXVQZXEHBX-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](c1ccc(Cl)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 24mg/kg (24mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08938,