1689-83-4
Product Name:
Ioxynil
Formula:
C7H3I2NO
Synonyms:
4-Hydroxy-3,5-diiodobenzonitrile
Inquiry
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.