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Benoxacor Structure

Benoxacor

Chemical Properties

Melting point 105-107°
Boiling point 240°C (rough estimate)
Density  1.3416 (rough estimate)
vapor pressure  0.002Pa at 25℃
refractive index  1.6070 (estimate)
Flash point >107 °C
storage temp.  0-6°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 1.20±0.40(Predicted)
color  Pale Brown to Light Brown
Water Solubility  38mg/L at 25℃
BRN  4190275
Henry's Law Constant 1.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application agriculture
environmental
InChI 1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
InChIKey PFJJMJDEVDLPNE-UHFFFAOYSA-N
SMILES CC1COc2ccccc2N1C(=O)C(Cl)Cl
LogP 2.6 at 25℃
CAS DataBase Reference 98730-04-2(CAS DataBase Reference)
NIST Chemistry Reference Benoxacor(98730-04-2)
EPA Substance Registry System Benoxacor (98730-04-2)

Safety Information

WGK Germany  2
RTECS  DM3029000
TSCA  TSCA listed
HS Code  29349990
Storage Class 13 - Non Combustible Solids
Hazard Classifications Aquatic Chronic 1
Skin Sens. 1
Toxicity LD50 (mg/kg): >5000 orally in rats; >2010 dermally in rabbits; LC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)

Usage And Synthesis

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