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1398065-91-2

1398065-91-2 structural image
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.
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
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
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.

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