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40487-42-1

40487-42-1 structural image
Product Name: Pendimethalin
Formula: C13H19N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pendimethalin appears as orange-yellow crystals. Non corrosive. Used as an herbicide.
Color/Form Orange-yellow crystal solid
Odor Faint, nutty odor
Boiling Point Decomposes on distillation
Melting Point 56-57 °C
Flash Point Flashpoint of Prowl: 92 °F (closed cup); 124 °F (open cup) /Prowl/
Solubility Soluble in most organic solvents
Density 1.19 at 25 °C
Vapor Pressure 0.00003 [mmHg]
LogP log Kow = 5.20
Henry's Law Constant Henry's Law constant = 8.56X10-7 atm-cu m/mol at 25 °C
Stability/Shelf Life Very stable in storage. Stable to acids and alkalis. Slowly decomposed by light.
Decomposition When heated to decomposition it emits toxic fumes of nitroxides.
Corrosivity Non-corrosive
Collision Cross Section 162.6 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Kovats Retention Index 2036 1988 2013.7
Other Experimental Properties Very stable in storage; stable to acids and alkalis; slowly decomposed by light
Chemical Classes Pesticides -> Herbicides, Nitroaromatic

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 281.31 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 281.13755610 g/mol
Monoisotopic Mass 281.13755610 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 349
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

Pendimethalin appears as orange-yellow crystals. Non corrosive. Used as an herbicide.

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