1398065-91-2
Product Name:
Imazalil-(allyl-d5)
Formula:
C14H14Cl2N2O
Synonyms:
1-[2-(Allyl-d5-oxy)-2-(2,4-dichlorophenyl)ethyl]imidazole;Imazalil-d5
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Imazalil is a slightly yellow to brown solidified oil. Non-corrosive. Used as a fungicide. |
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Color/Form | Slightly yellow to brown crystalline mass. |
Boiling Point | 347 °C |
Melting Point | 52.7 °C |
Flash Point | 192 °C |
Solubility | In acetone, dichloromethane, ethanol, methanol, isopropanol, xylene, toluene, benzene > 500g/L at 20 °C. In hexane 19 g/L at 20 °C. Also soluble in heptane and petroleum ether. |
Density | 1.348 g/ml at 26 °C |
Vapor Pressure | 0.00000119 [mmHg] |
LogP | log Kow = 3.82 (pH 9.2 buffer) |
Stability/Shelf Life | Very stable to hydrolysis in dilute acids and alkalis at room temperature, in the absence of light. Stable to temperatures up to 285 °C. Stable to light under normal storage conditions. |
Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride and nitrogen oxides/. |
Ionization Efficiency | Positive |
Refractive Index | Index of refraction = 1.5643 at 20 °C/D |
Dissociation Constants | pKa = 6.53 |
Collision Cross Section | 165.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
Kovats Retention Index | 2138 2128 |
Other Experimental Properties | Very stable to hydrolysis in dilute acids and alkalis at room temperature, in the absence of light. Stable to temperatures up to 285 °C. Stable to light under normal storage conditions. |
Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 Environment GHS09 |
GHS Hazard Statements |
H301:Acute toxicity,oral H318:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 | 297.2 g/mol |
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XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 6 |
Exact Mass | 296.0483185 g/mol |
Monoisotopic Mass | 296.0483185 g/mol |
Topological Polar Surface Area | 27 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 291 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Imazalil is a slightly yellow to brown solidified oil. Non-corrosive. Used as a fungicide.