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181274-15-7

181274-15-7 structural image
Product Name: Procarbazone sodium
Formula: C15H17N4NaO7S
Synonyms: 2-[(4-Methyl-5-oxo-3-propoxy-1,2,4-triazolin-1-yl)carbamidosulfonyl]benzoic acid methyl ester sodium salt
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Colorless crystalline powder
Odor Odorless
Melting Point 230-240 °C (decomposes)
Solubility In dichloromethane 1.5, n-heptane, xylene and isopropanol <0.1 (all in g/L, 20 °C)
Density 1.42 at 20 °C
Vapor Pressure <1X10-8 Pa at 20 °C
LogP log Kow (20 °C): -0.30 (pH 4); -1.55 (pH 7); -1.59 (pH 9)
Other Experimental Properties MP: 141 °C; pKa 2.1 /Propoxycarbazone/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 420.4 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 420.07156435 g/mol
Monoisotopic Mass 420.07156435 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 737
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 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Propoxycarbazone-sodium is a postemergence herbicide used primarily to control various annual and perennial grasses in rye, triticale, and wheat. Its efficacy is the result of the inhibition of the enzyme acetolactate synthase (ALS) in target plants.