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5836-10-2

5836-10-2 structural image
Product Name: CHLOROPROPYLATE
Formula: C17H16Cl2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless or white solid; [HSDB]
Color/Form WHITE POWDER
Boiling Point 148-150 °C @ 0.5 mm Hg
Melting Point 73 °C
Solubility At 20 °C: 700 g/L acetone, dichloromethane; 50 g/L hexane; 300 g/L methanol; 130 g/L n-octanol; 500 g/L toluene
Density 1.36 g/cu cm @ 20 °C
Vapor Pressure 0.00000018 [mmHg]
Henry's Law Constant Henry's Law constant = 8.03X10-9 atm-cu m/mol @ 25 °C /Estimated/
Stability/Shelf Life Unstable in alkaline media and strongly acidic media
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride/
Kovats Retention Index 2189 2217.8
Other Experimental Properties Hydroxyl radical reaction rate constant = 6.87X10-12 cu cm/molecule-sec @ 25 °C /Estimated/
Chemical Classes Pesticides -> Organochlorine Pesticides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H318:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 339.2 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 338.0476498 g/mol
Monoisotopic Mass 338.0476498 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 348
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

Chloropropylate is an organochlorine acaricide, a member of monochlorobenzenes, a tertiary alcohol and an isopropyl ester. It has a role as a bridged diphenyl acaricide. It is functionally related to a 4,4'-dichlorobenzilic acid.