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Substance Name: Benzenamine, 3,5-bis(trifluoromethyl)-
RN: 328-74-5
InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-F6-N

Molecular Weight

  • 229.122
 
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Names and Synonyms

Synonyms

  • 3,5-Bis(trifluoromethyl)aniline
  • 3,5-Bis(trifluoromethyl)benzenamine
  • 3,5-Di(trifluoromethyl)aniline
  • 3,5-Xylidine, alpha,alpha,alpha,alpha,alpha,alpha-hexafluro-
  • 3-12-00-02498 (Beilstein Handbook Reference)
  • AI3-17666
  • Aniline, 3,5-bis(trifluoromethyl)-
  • BRN 0654318
  • EINECS 206-335-0
  • NSC 3411

Systematic Names

  • 3,5-Xylidine, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
  • alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidine
  • Benzenamine, 3,5-bis(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 328-74-5

System Generated Number

  • 0000328745

Structure Descriptors

InChI

1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2

InChIKey

CDIDGWDGQGVCIB-UHFFFAOYSA-N

Smiles

C(c1cc(C(F)(F)F)cc(c1)N)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 143, 1954.
mouse LDLo intraperitoneal 31300ug/kg (31.3mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 323, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.57 (none)   EXP
Water Solubility 27.5 mg/L 25 EST
Vapor Pressure 0.400 mm Hg 25 EST
Henry's Law Constant 1.44E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.47E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.