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85-00-7

85-00-7 structural image
Product Name: Diquat dibromide
Formula: C12H12Br2N2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless to yellow crystals; [ICSC] Aqueous solution is dark reddish-brown; [CHEMINFO]
Color/Form Colorless to yellow crystals
Melting Point 337 °C
Solubility Slightly soluble in alcohols, hydroxylic solvents. Practically insoluble in nonpolar organic solvents.
Density 1.22 to 1.27 @ 20 °C/20 °C
Vapor Pressure 0.00000181 [mmHg]
LogP log Kow = -4.60
Stability/Shelf Life Under normal storage conditions, in original containers, shelf life is indefinitely long; dry chem sensitive to UV light.
Decomposition When heated to decomposition, diquat dibromide emits very toxic fumes of /nitrogen oxides and hydrogen bromide/.
Corrosivity The active ingredient is corrosive to metals.
Other Experimental Properties MP: below 320 °C, decomp, also reported as mp 335-340 °C; Sol in water @ 20 °C: 70%; Insol in organic solvents; slightly soluble in alcohol; Max absorption: 308.31 nm (E= 18,000); Stable in acid or neutral soln /Monohydrate/
Chemical Classes Pesticides -> Herbicides, Bipyridyl

COMPUTED DESCRIPTORS

Molecular Weight 344.04 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 343.93467 g/mol
Monoisotopic Mass 341.93672 g/mol
Topological Polar Surface Area 7.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 183
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 3
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Diquat dibromide is a non-selective contact herbicide, algicide, desiccant, and defoliant that produces desiccation and defoliation most often available as the dibromide, diquat dibromide.