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Tebufenozide Structure

Tebufenozide

Chemical Properties

Melting point 191°; mp 186-188° (Sundaram, 1081)
Density  1.074±0.06 g/cm3(Predicted)
vapor pressure  3 x 10 -6 Pa (25 °C)
storage temp.  0-6°C
solubility  Chloroform: Slightly Soluble,Methanol: Slightly Soluble
Water Solubility  0.83 mg l-1 (20 °C)
pka 10.89±0.46(Predicted)
form  Solid
color  White to off-white
BRN  7822297
InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
InChIKey QYPNKSZPJQQLRK-UHFFFAOYSA-N
SMILES C(N(C(C)(C)C)NC(=O)C1=CC=C(CC)C=C1)(=O)C1=CC(C)=CC(C)=C1
LogP 4.240 (est)
CAS DataBase Reference 112410-23-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII TNN5MI5EKF
Pesticides Freedom of Information Act (FOIA) Tebufenozide
EPA Substance Registry System Tebufenozide (112410-23-8)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H411
Precautionary statements P273
Hazard Codes  N
Risk Statements  51/53
Safety Statements  61
RIDADR  UN 3077
WGK Germany  2
HazardClass  9
PackingGroup  III
HS Code  29280000
Hazardous Substances Data 112410-23-8(Hazardous Substances Data)
Toxicity LD50 orally in rats, mice: >5000 mg/kg; dermally in rats: >5000 mg/kg; LD50 in honey bees (96 hr, contact): >234 mg/bee; LC50 in mallard duck (8-day dietary): >5000 mg/kg; LC50 in rainbow trout (96 hr): 5.7 mg/l (Heller)

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