CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Triforine appears as colorless crystals. Non corrosive. Used as a fungicide. |
|---|---|
| Color/Form | White to light brown crystals. |
| Melting Point | 155 °C (decomposes) |
| Solubility | Readily soluble in dimethylformamide (330 g/L), dimethyl sulfoxide and N-methylpyrrolidone (476 g/L). Soluble in tetrahydrofuran. Slightly soluble in acetone (11 g/L), dichloromethane (1 g/L), methanol (10 g/L), dioxane, and cyclohexanone. Insoluble in benzene, petroleum ether and cyclohexane. |
| Density | 1554 kg/cu m at 20 °C |
| Vapor Pressure | 0.0000002 [mmHg] |
| LogP | log Kow = 2.20 |
| Henry's Law Constant | Henry's Law constant = 3.8X10-9 atm-cu m/mole @ 25 °C /Estimated/ |
| Stability/Shelf Life | Stable </=180 °C. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides and hydrogen chloride/ |
| Dissociation Constants | pKa = 10.6 |
| Collision Cross Section | 185.83 Ų [M+Cl]- |
| Other Experimental Properties | Stable at less than or equal to 180 °C. Decomposed in aqueous solution exposed to UV or daylight. Decomposed in strongly acidic media (to trichloroacetaldehyde and piperazine salts) and in strongly alkaline media (to chloroform and piperazine); half-life of 3.5 days at pH 5 to 7 , 25 °C. |
| Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. |
COMPUTED DESCRIPTORS
| Molecular Weight | 435.0 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 433.921842 g/mol |
| Monoisotopic Mass | 431.924792 g/mol |
| Topological Polar Surface Area | 64.7 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 345 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Triforine appears as colorless crystals. Non corrosive. Used as a fungicide.