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81777-89-1

81777-89-1 structural image
Product Name: Clomazone
Formula: C12H14ClNO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colorless to light brown viscous liquid; mp = 25 deg C; [HSDB]
Color/Form Clear colorless to light brown viscous liquid
Boiling Point 275 °C
Melting Point 25 °C
Flash Point 4 /emulsifiable concentrates/: 106-109 °F /(41.11-42.78 °C)/ (Closed cup)
Solubility Readily soluble in acetonitrile, hexane, dioxane, xylene
Density 1.192 at 25 °C
Vapor Density 1.192 at 77 °F
Vapor Pressure 0.00014 [mmHg]
LogP log Kow = 2.5 at 25 °C
Henry's Law Constant Henry's Law constant = 4.13X10-8 atm-cu m/mole at 25 °C
Stability/Shelf Life Compatible with many other herbicides, e.g. metribuzin, linuron, chloramben, alachlor, trifluralin, pendimethalin, metolachlor, oryzalin or ethalfluralin.
Collision Cross Section 158.79 Ų [M+Na]+ 146.72 Ų [M+H]+
Kovats Retention Index 1761 1741.9 1732.4 1733.8
Other Experimental Properties Stable at ambient temperatures for at least 2 years; stable at 50 °C for at least 3 mo. In sunlight, DT50 >30 d in aqueous solution
Chemical Classes Pesticides -> Herbicides, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

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

COMPUTED DESCRIPTORS

Molecular Weight 239.70 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 239.0713064 g/mol
Monoisotopic Mass 239.0713064 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 280
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

Clomazone is an isoxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4. It has a role as an environmental contaminant, a xenobiotic, a herbicide, an agrochemical and a carotenoid biosynthesis inhibitor. It is a member of monochlorobenzenes and an isoxazolidinone.