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51218-45-2

51218-45-2 structural image
Product Name: Metolachlor
Formula: C15H22ClNO2
Synonyms: 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(-2-methoxy-1-methylethyl)acetamide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Metolachlor is a tan to brown oily liquid with a slightly sweet odor. Slightly soluble in water and denser than water. Hence sinks in water. Soluble in most organic solvents. Used as a selective herbicide.
Color/Form Colorless liquid
Boiling Point 212 °F at 0.001 mmHg (USCG, 1999)
Melting Point -62.1 °C
Flash Point greater than 230 °F (USCG, 1999)
Solubility Miscible with benzene, toluene, ethanol, acetone, xylene, hexane, dimethylformamide, dichloroethane, cyclohexanone, methanol, octanol, and dichloromethane. Insoluble in ethylene glycol, propylene glycol, and petroleum ether.
Density 1.12 (USCG, 1999) - Denser than water; will sink
Vapor Pressure 0.0000314 [mmHg]
LogP log Kow = 3.13
Henry's Law Constant Henry's Law constant = 9.0X10-9 atm-cu m/mole at 20 °C
Stability/Shelf Life Stable up to about 275 °C.
Autoignition Temperature 510 °F (USCG, 1999)
Decomposition When heated to decompostion it emits toxic fumes of /hydrogen chloride and nitrogen oxides/.
Corrosivity Noncorrosive
Refractive Index Index of refraction: 1.5301 at 20 °C/D
Collision Cross Section 161.46 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Chemical Classes Pesticides -> Herbicides, Chloracetanilide

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 283.79 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 283.1339066 g/mol
Monoisotopic Mass 283.1339066 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 285
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Metolachlor is a tan to brown oily liquid with a slightly sweet odor. Slightly soluble in water and denser than water. Hence sinks in water. Soluble in most organic solvents. Used as a selective herbicide.