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208465-21-8

Name Mesosulfuron-methyl
CAS 208465-21-8
Molecular Formula C17H21N5O9S2
MDL Number MFCD04112616
Molecular Weight 503.51
MOL File 208465-21-8.mol

Chemical Properties

Melting point  195.4°
density  1.498±0.06 g/cm3(Predicted)
storage temp.  0-6°C
solubility  Solubility in organic solvents (g/l at 20 °C) Acetone 13.66 Ethyl acetate 2.0 Dichloromethane 3.8 n‐Hexane <0.0002 Toluene 0.013.
form  neat
pka Dissociation constant (pKa at 20 °C) : 3.22 (Under strong acidic conditions – pH 2 – formation of iodosulfuron methyl)
Water Solubility  Solubility in water (g/l at 20 °C) 0.007 (pH 5) 0.483 (pH 7) 15.39 (pH 9).
InChI InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)
InChIKey NIFKBBMCXCMCAO-UHFFFAOYSA-N
SMILES C(OC)(=O)C1=CC=C(CNS(C)(=O)=O)C=C1S(NC(NC1=NC(OC)=CC(OC)=N1)=O)(=O)=O
EPA Substance Registry System Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl) amino]carbonyl]amino]sulfonyl]- 4-[[(methylsulfonyl)amino] methyl]-, methyl ester(208465-21-8)

Safety Data

Hazard Codes  N
Risk Statements 
Safety Statements 
RIDADR  UN 3077
WGK Germany  2
Hazardous Substances Data 208465-21-8(Hazardous Substances Data)
Toxicity
LD50 in rats (mg/kg): >5000 orally; >5000 dermally; LC50 in rats: >1.33 mg/l air (Hacker)

Hazard Information

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