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Pyrrolnitrin Structure

Pyrrolnitrin

Chemical Properties

Melting point 124.5°
Boiling point 410.5±45.0 °C(Predicted)
Density  1.5834 (rough estimate)
refractive index  1.6100 (estimate)
storage temp.  Store at -20°C
solubility  DMSO: 10 mM
form  A solid
pka 14.28±0.50(Predicted)
color  Light green to green
InChI 1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H
InChIKey QJBZDBLBQWFTPZ-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1c(Cl)cccc1-c2c[nH]cc2Cl

Safety Information

WGK Germany  WGK 2
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity LD50 in rats, rabbits (mg/kg): 68, 105 i.p. (Nishida)

Usage And Synthesis

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