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60207-90-1

60207-90-1 structural image
Product Name: Propiconazole
Formula: C15H17Cl2N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellowish odorless liquid. Non corrosive. Used as a fungicide.
Color/Form Yellowish, viscous liquid
Odor Practically odorless
Boiling Point 180 °C at 0.1 mm Hg
Solubility 47 g/L in n-hexane; completely miscible with ethanol, acetone, toluene, and octanol.
Vapor Pressure 0.000001 [mmHg]
LogP log Kow = 3.72
Stability/Shelf Life Stable up to 320 °C; no significant hydrolysis.
Decomposition When heated to decomposition it emits toxic vapors of /nitrogen oxides and hydrogen chloride/.
Corrosivity Noncorrosive to metals.
Ionization Efficiency Positive
Dissociation Constants The pKa of the conjugate acid of propiconazole is 1.09.
Collision Cross Section 177.88 Ų [M+H]+
Kovats Retention Index 2331.3 2305 2343 2312 2299.2 2316.7
Chemical Classes Pesticides -> Fungicides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 342.2 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 341.0697822 g/mol
Monoisotopic Mass 341.0697822 g/mol
Topological Polar Surface Area 49.2 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 377
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

Yellowish odorless liquid. Non corrosive. Used as a fungicide.

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