CHROMAFENOZIDE Structure

CHROMAFENOZIDE

Chemical Properties

Melting point 186.4°
Density  1.173g/cm3 (20℃)
storage temp.  0-6°C
solubility  DMSO: 250 mg/mL (633.70 mM)
pka 10.91±0.20(Predicted)
form  Solid
color  White to off-white
Henry's Law Constant 5.1×105 mol/(m3Pa) at 25℃, Maniere et al. (2011)
InChI InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
InChIKey HPNSNYBUADCFDR-UHFFFAOYSA-N
SMILES C1OC2=CC=C(C(NN(C(=O)C3=CC(C)=CC(C)=C3)C(C)(C)C)=O)C(C)=C2CC1
LogP 4.510 (est)
FDA UNII 2ODM465D5M

Safety

Symbol(GHS) GHS hazard pictograms
Hazard statements H411
Risk Statements  53
Toxicity LD50 (mg/kg) orally in rats, mice: >5000; dermally in rabbits: >2000; LC50 (mg/l) in rats: >4.68 by inhalation; in carp, rainbow trout (96 hr): >47.25, >18.9 (Yanagi)

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