Metsulphuron-Methyl
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Product Description
Product
Metsulphuron-Methyl
CAS
74223-64-6
Formula
C14H15N5O6S
Typical Product Specifications
Molecular weight
381.37
SMILES
c1(c(cccc1)C(=O)OC)S(=O)(=O)NC(=O)Nc1nc(nc(n1)C)OC
InChI
RSMUVYRMZCOLBH-UHFFFAOYSA-N
InChIKey
1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
Storage Temperature
0-6°C
Melting Point
158°C
Melting Point
158 ° C
Henry's Law Constant
1.32E-16 atm-m3/mole
pKa Dissociation Constant
3.64
Water solubility
9500 mg/L
Atmospheric OH Rate Constant
2.52E-11 cm3/molecule-sec
log P (octanol-water)
2.2
Molecular weight
224.15
SMILES
P(O\C(=C\C(OC)=O)C)(OC)(OC)=O
InChI
1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
InChIKey
GEPDYQSQVLXLEU-AATRIKPKSA-N
log P (octanol-water)
0.13
Vapor Pressure
1.28E-04 mm Hg
Melting Point
13.95 ° C
Henry's Law Constant
6.39E-11 atm-m3/mole
Water solubility
6.00E+05 mg/L
Atmospheric OH Rate Constant
3.63E-11 cm3/molecule-sec
Class
Metsulphuron-Methyl
Product Description
Product
Metsulphuron-Methyl
CAS
74223-64-6
Formula
C14H15N5O6S
Typical Product Specifications
Molecular weight
381.37
SMILES
c1(c(cccc1)C(=O)OC)S(=O)(=O)NC(=O)Nc1nc(nc(n1)C)OC
InChI
RSMUVYRMZCOLBH-UHFFFAOYSA-N
InChIKey
1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
Storage Temperature
0-6°C
Melting Point
158°C
Melting Point
158 ° C
Henry's Law Constant
1.32E-16 atm-m3/mole
pKa Dissociation Constant
3.64
Water solubility
9500 mg/L
Atmospheric OH Rate Constant
2.52E-11 cm3/molecule-sec
log P (octanol-water)
2.2
Molecular weight
224.15
SMILES
P(O\C(=C\C(OC)=O)C)(OC)(OC)=O
InChI
1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
InChIKey
GEPDYQSQVLXLEU-AATRIKPKSA-N
log P (octanol-water)
0.13
Vapor Pressure
1.28E-04 mm Hg
Melting Point
13.95 ° C
Henry's Law Constant
6.39E-11 atm-m3/mole
Water solubility
6.00E+05 mg/L
Atmospheric OH Rate Constant
3.63E-11 cm3/molecule-sec
Class
