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111-54-6

111-54-6 structural image
Product Name: Ethylenebisdithiocarbamic acid
Formula: C4H8N2S4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Zineb appears as an off-white powder. Used as a fungicide.
Color/Form Powder or crystals from chloroform + alcohol
Odor Practically odorless
Boiling Point decomposes
Melting Point 157 °C (decomposes)
Flash Point 138 °C (280 °F)
Solubility less than 1 mg/mL at 77 °F (NTP, 1992)
Density Approx 1.74 at 20 °C
Vapor Pressure 0.00000008 [mmHg]
LogP log Kow = 1.30
Henry's Law Constant Henry's Law constant = 4.4X10-9 atm-cu m/mol at 25 °C (est VP/WSOL)
Stability/Shelf Life Unstable to light, moisture and heat on prolonged storage ...
Autoignition Temperature 149 °C
Decomposition Decomposes at 157 °C without melting.
Polymerization The heavy metal salts of ethylene bisdithiocarbamic acid, i.e., maneb and zineb, may polymerize, the extent of polymerization depending on the method of preparation.
Dissociation Constants pKa = 10.3
Other Experimental Properties The powder spreads easily on water, also forms aqueous suspensions
Chemical Classes Pesticides -> Dithiocarbamates (Pesticide)

COMPUTED DESCRIPTORS

Molecular Weight 212.4 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 211.95703296 g/mol
Monoisotopic Mass 211.95703296 g/mol
Topological Polar Surface Area 90.2 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 119
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

Zineb appears as an off-white powder. Used as a fungicide.