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1689-83-4

1689-83-4 structural image
Product Name: Ioxynil
Formula: C7H3I2NO
Synonyms: 4-Hydroxy-3,5-diiodobenzonitrile
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless odorless solid; [ICSC] Technical product is cream solid; Decomposed by sunlight and ultraviolet light; [HSDB] Powder; [MSDSonline]
Color/Form Colorless crystalline solid
Odor Faint phenolic /tech grade/
Boiling Point Sublimes at circa 140 °C/0.1 mm Hg
Melting Point 212-213 °C
Solubility SOLUBILITY IN WATER @ 20-25 °C: 22% /LITHIUM SALT/; 14% /SODIUM SALT/; 10.7% /POTASSIUM SALT/
Vapor Pressure 0.00000014 [mmHg]
LogP Log Kow = 0.90 at pH 6.5
Stability/Shelf Life PRACTICALLY NON-VOLATILE
Decomposition When heated to decomposition ... emits toxic fumes of /hydrogen iodide and hydrogen chloride/.
Corrosivity Non-corrosive
Dissociation Constants PK: 3.96
Collision Cross Section 133.06 Ų [M-H]-
Kovats Retention Index 1927
Other Experimental Properties HYDROLYZED TO THE BENZAMIDE WHEN WARMED WITH CONCN SULFURIC ACID; PROLONGED TREATMENT WITH CONCN SULFURIC ACID @ 40 °C RESULTS IN FORMATION OF THE CORRESPONDING BENZOIC ACID; RAPIDLY DECOMPOSES TO PRODUCE FREE IODINE & IODIDE IONS WHEN HEATED ABOVE 60 °C IN UV LIGHT OR SUNLIGHT
Chemical Classes Pesticides -> Herbicides, Nitrile

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H312:Acute toxicity,dermal
H319:Serious eye damage/eye irritation
H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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 370.91 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 370.83041 g/mol
Monoisotopic Mass 370.83041 g/mol
Topological Polar Surface Area 44 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 176
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

Ioxynil is a nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5. It has a role as a xenobiotic, an environmental contaminant and a herbicide. It is a nitrile and an iodophenol.