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99129-21-2

99129-21-2 structural image
Product Name: Clethodim
Formula: C17H26ClNO3S
Synonyms: 2-{(E)-1-[(E)-3-Chloroallyloxyimino]propyl}-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Clear amber liquid
Boiling Point Decomposes below boiling point
Flash Point 162 °F (72 °C) (Closed cup) /Select Max Herbicide/
Solubility Soluble in most organic solvents
Stability/Shelf Life Unstable at extreme pH's, temperature and upon exposure to UV light. /Select Max Herbicide/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 359.9 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 9
Exact Mass 359.1321926 g/mol
Monoisotopic Mass 359.1321926 g/mol
Topological Polar Surface Area 84.2 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 488
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Clethodim is an oxime O-ether resulting from the formal conversion ot the acyclic keto group of 5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-propionylcyclohex-2-en-1-one to the corresponding oxime with subsequent O-alkylation of the oxime by an (E)-3-chloroallyl group. It is used as a selective postemergence herbicide for the control of annual and perennial grasses in numerous crops, including alfalfa, celery, clover, conifers, cotton, cranberries, garlic, onions, ornamentals, peanuts, soybeans, strawberries, sugarbeet, sunflowers, and vegetables; the (-)-enantiomer has been reported to be more active than the (+)-enantiomer. It has a role as a herbicide and an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is an organic sulfide, a cyclic ketone, an organochlorine compound, an oxime O-ether, a beta-diketone and an enol.