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94-82-6

94-82-6 structural image
Product Name: 2,4-Dichlorophenoxybutyric acid
Formula: C10H10Cl2O3
Synonyms: 2,4-DB;4-(2,4-Dichlorophenoxy)butyric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,4-db appears as colorless crystals. Slightly corrosive to iron. A chlorinated phenoxy herbicide. Soluble in organic solvents.
Color/Form White crystals
Odor Slightly phenolic
Melting Point 118-120 °C
Solubility Water solubility: 46 ppm at 25 °C.
Vapor Pressure 0.0000111 [mmHg]
LogP log Kow= 3.53
Henry's Law Constant Henry's Law constant estimated to be 2.29X10-9 atm-cu m/mole at 25 °C.
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Corrosivity The acid is slightly corrosive to iron.
Dissociation Constants pKa= 4.95 at 25 °C
Kovats Retention Index 1869 1826.1
Other Experimental Properties Koc of 4-(2,4-dichlorophenoxy)butyric acid has been experimentally measured to be 370 at pH 7.9.
Chemical Classes Pesticides -> Herbicides, Chlorophenoxy

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 249.09 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 248.0006996 g/mol
Monoisotopic Mass 248.0006996 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 211
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

2,4-db appears as colorless crystals. Slightly corrosive to iron. A chlorinated phenoxy herbicide. Soluble in organic solvents.