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82097-50-5

82097-50-5 structural image
Product Name: Triasulfuron
Formula: C14H16ClN5O5S
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Fine white powder
Melting Point 178.1 °C (decomposes)
Solubility In water, 1.5 g/L (pH 7) at 20 °C
Density 1.5 g/cu cm
Vapor Pressure Vapor pressure: 7.5X10-13 mm Hg at 20 °C
LogP log Kow = 1.1 (pH 5.0), -0.59 (pH 6.9), -1.8 (pH 9.0) at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Hazardous decomposition products formed under fire conditions: Carbon oxides, nitrogen oxides (NOx), sulfur oxides, hydrogen chloride gas.
Ionization Efficiency Positive
Dissociation Constants pKa = 4.64
Other Experimental Properties Henry's Law constant = <2.5X10-10 atm-cu m/mole at 23 °C (estimated from vapor pressure and water solubility (pH 5); calculated value at pH7 and pH9 will be even lower due to higher water solubility

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H332:Acute toxicity,inhalation
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 401.8 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 401.0560675 g/mol
Monoisotopic Mass 401.0560675 g/mol
Topological Polar Surface Area 141 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 560
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Triasulfuron is an N-sulfonylurea that is N-[o-(2-chloroethoxy)phenyl]sulfonylurea in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used to control broad-leaved weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life. It has a role as a herbicide and an agrochemical. It is an aromatic ether, a N-sulfonylurea, a member of 1,3,5-triazines and an organochlorine compound.