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Simetryne Structure

Simetryne

Chemical Properties

Melting point 82-83°C
Boiling point 312.8°C (rough estimate)
Density  1.1553 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  0-6°C
solubility  DMF: 30 mg/mL; DMSO: 30 mg/mL; Ethanol: 30 mg/mL; Ethanol:PBS (pH 7.2) (1:4): 0.2 mg/mL
pka 4.05±0.10(Predicted)
Water Solubility  0.45g/L(room temperature)
Merck  13,8610
BRN  11728
InChIKey MGLWZSOBALDPEK-UHFFFAOYSA-N
CAS DataBase Reference 1014-70-6(CAS DataBase Reference)
NIST Chemistry Reference 2-Methylthio-4,6-bis(ethylamino)-1,3,5-triazine(1014-70-6)
EPA Substance Registry System Simetryn (1014-70-6)

Safety Information

Hazard Codes  Xn;N,N,Xn
Risk Statements  22-50/53-R50/53-R22
Safety Statements  2-60-61-S61-S60-S2
RIDADR  UN 3077 9/PG 3
WGK Germany  3
RTECS  XY4025000
HS Code  29336990
Toxicity LD50 orally in rats: 1830 mg/kg (Edson)

MSDS

Usage And Synthesis

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