105512-06-9

Name Clodinafop-propargyl
CAS 105512-06-9
Molecular Formula C17H13ClFNO4
MDL Number MFCD01632328
Molecular Weight 349.74
MOL File 105512-06-9.mol

Chemical Properties

Melting point  48-57°C
alpha  D20 +45.4° (c = 2 in acetone)
Boiling point  432.7±45.0 °C(Predicted)
density  1.37 g/cm3(Temp: 22 °C)
storage temp.  0-6°C
solubility  DMSO: 100 mg/mL (285.93 mM)
form  neat
pka -1.54±0.32(Predicted)
color  Off-white to yellow
BRN  8857008
Henry's Law Constant 3.6×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application agriculture
environmental
InChI InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
InChIKey JBDHZKLJNAIJNC-LLVKDONJSA-N
SMILES C(OCC#C)(=O)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C
CAS DataBase Reference 105512-06-9(CAS DataBase Reference)
EPA Substance Registry System 105512-06-9(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Warning
Hazard statements  H302+H332-H373-H410
Precautionary statements  P260-P264-P273-P301+P312-P304+P340+P312-P314
Hazard Codes  Xn;N,N,Xn
Risk Statements 
R20/22:Harmful by inhalation and if swallowed .
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
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  UN 2811
WGK Germany  3
HS Code  29333990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
STOT RE 2
Hazardous Substances Data 105512-06-9(Hazardous Substances Data)
Toxicity
LD50 in rats (mg/kg): 1829 orally; >2000 dermally; LC50 in rats (4 hr): >2325 mg/m3 by inhalation (Amrein)

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

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