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34014-18-1

34014-18-1 structural image
Product Name: 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
Formula: C9H16N4OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tebuthiuron appears as colorless odorless crystals. Non corrosive. Used as an herbicide.
Color/Form Colorless solid
Odor Odorless
Melting Point 161.5-164 °C
Solubility Solubility in benzene 3.7, hexane 6.1, 2-methoxyethanol 60, acetonitrile 60, acetone 70, methanol 170, chloroform 250 (all in g/L, 25 °C)
Vapor Pressure 0.000002 [mmHg]
LogP log Kow = 1.79
Henry's Law Constant Henry's Law constant = 1.2X10-10 atm-cu m/mol (1.31X10-5 Pa-cu m/mol) at 25 °C
Stability/Shelf Life Stable to light.
Decomposition When heated to decomposition it emits toxic fumes of /sulfur oxides and nitrogen oxides/.
Corrosivity Noncorrosive in commercial packaging
Dissociation Constants pKa = 1.20
Kovats Retention Index 1481.9
Other Experimental Properties Stable in aqueous media between pH 5 and 9. On hydrolysis, DT50 (25 °C) >64 days (pH 3, 6, and 9).
Chemical Classes Pesticides -> Herbicides, Urea Derivative

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 228.32 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 228.10448232 g/mol
Monoisotopic Mass 228.10448232 g/mol
Topological Polar Surface Area 86.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 241
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

Tebuthiuron appears as colorless odorless crystals. Non corrosive. Used as an herbicide.