CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear colorless to light brown viscous liquid; mp = 25 deg C; [HSDB] |
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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 |
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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 |
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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.