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Substance Name: Triazene, 3,3-dimethyl-1-(m-(trifluoromethyl)phenyl)-
RN: 402-38-0
InChIKey: LYDULXUBCSVHIU-BUHFOSPRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-F3-N3

Molecular Weight

  • 217.193
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-1-(3-(trifluoromethyl)phenyl)triazene
  • 3,3-Dimethyl-1-(m-(trifluoromethyl)phenyl)triazene
  • 4-16-00-00915 (Beilstein Handbook Reference)
  • BRN 1842362
  • NSC 515462
  • Triazene, 3,3-dimethyl-1-(m-(trifluoromethyl)phenyl)-

Systematic Names

  • 1-Triazene, 3,3-dimethyl-1-(3-(trifluoromethyl)phenyl)- (9CI)
  • Triazene, 3,3-dimethyl-1-(m-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 402-38-0

System Generated Number

  • 0000402380

Structure Descriptors

InChI

1S/C9H10F3N3/c1-15(2)14-13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,1-2H3/b14-13+

InChIKey

LYDULXUBCSVHIU-BUHFOSPRSA-N

Smiles

c1ccc(C(F)(F)F)cc1\N=N\N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 342mg/kg (342mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1299, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.78 (none)   EXP
Water Solubility 21.1 mg/L 25 EST
Vapor Pressure 0.092 mm Hg 25 EST
Henry's Law Constant 4.66E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.68E-12 cm3/molecule-sec 25 EST

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