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5259-88-1

5259-88-1 structural image
Product Name: OXYCARBOXIN
Formula: C12H13NO4S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white or white solid; [HSDB]
Color/Form OFF-WHITE CRYSTALS
Melting Point 119.5 to 121.5 °C
Flash Point 219 °C
Solubility 38 [ug/mL] (The mean of the results at pH 7.4)
Density 1.41 g/cu cm
Vapor Pressure 0.00000004 [mmHg]
LogP log Kow = 0.772
Stability/Shelf Life Stable at 55 °C for 18 days. Hydrolysis DT50 44 days (pH 6, 25 °C).
Decomposition When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides/.
Corrosivity CORROSIVE
Kovats Retention Index 2351.8
Chemical Classes Pesticides -> Fungicides

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 267.30 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 267.05652907 g/mol
Monoisotopic Mass 267.05652907 g/mol
Topological Polar Surface Area 80.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 455
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

Oxycarboxin is an anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-4,4-dioxo-1,4-oxathiine-3-carboxylic acid. A fungicide for the control of rust diseases on ornamentals, cereals and nursery trees as well as fairy rings on turf. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is a sulfone, an anilide, an oxacycle, an organosulfur heterocyclic compound and an anilide fungicide.