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144550-36-7

Name Methyl 4-iodo-2-[3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl]benzoate sodium salt
CAS 144550-36-7
EINECS(EC#) 236-293-9
Molecular Formula C14H13IN5NaO6S
MDL Number MFCD06636642
Molecular Weight 529.2
MOL File 144550-36-7.mol

Chemical Properties

Melting point  152°
storage temp.  0-6°C
solubility  Solubility in organic solvents (g/l at 20 °C)
Acetonitrile 52
Ethyl acetate 23
n‐Heptane 0.001
Methanol 12
2‐Propanol 4.4
Toluene 2.1
form  neat
pka Dissociation constant (pKa at 20 °C) 3.22 (Under strong acidic conditions – pH 2 – formation of iodosulfuron‐methyl)
color  Off-White to Pale Beige
Water Solubility  Solubility in water (g/l at 20 °C) 0.16 (pH 5) 25.0 (pH 7) 65.0 (pH 9).
Major Application agriculture
environmental
InChI InChI=1S/C14H14IN5O6S.Na.H/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);;
InChIKey AOJXPLQLYBPMFZ-UHFFFAOYSA-N
SMILES S(C1C=C(I)C=CC=1C(=O)OC)(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1.[NaH]
CAS DataBase Reference 144550-36-7(CAS DataBase Reference)
EPA Substance Registry System 144550-36-7(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  UN 3077
WGK Germany  2
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Toxicity
LD50 in rats (mg/kg): 2678 orally; >2000 dermally (Hacker)

Hazard Information

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