71283-80-2

Name Fenoxaprop-p-ethyl
CAS 71283-80-2
Molecular Formula C18H16ClNO5
MDL Number MFCD01310637
Molecular Weight 361.78
MOL File 71283-80-2.mol

Chemical Properties

Appearance Colorless or white solid. Liquid form is dark brown with an aromatic hydrocarbon odor.
Melting point  79-84°C (lit.)
Boiling point  >300 °C
density  1.310±0.06 g/cm3(Predicted)
storage temp.  0-6°C
solubility  DMSO: ≥ 100 mg/mL (276.41 mM)
form  neat
pka -0.08±0.30(Predicted)
color  White to off-white
Optical Rotation [α]20/D +29°, c = 1 in chloroform
Water Solubility  705.4ug/L(temperature not stated)
BRN  8158010
Henry's Law Constant 6.2×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application agriculture
environmental
InChI 1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKey PQKBPHSEKWERTG-LLVKDONJSA-N
SMILES CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
CAS DataBase Reference 71283-80-2(CAS DataBase Reference)
EPA Substance Registry System 71283-80-2(EPA Substance)

Safety Data

Hazard Codes  N
Risk Statements 
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN3077 9/PG 3
WGK Germany  2
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
STOT RE 2
Toxicity
LD50 in male, female rats (mg/kg): 3040, 2090 orally; >2000, >2000 dermally (Huff)

Hazard Information

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