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123312-89-0

123312-89-0 structural image
Product Name: Pymetrozine
Formula: C10H11N5O
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Colorless crystals
Melting Point 217 °C
Solubility In ethanol, 2.25; in hexane <0.001 (both g/l @ 20 °C)
Density 1.36 @ 20 °C
Vapor Pressure <3X10-8 mm Hg @ 25 °C
LogP log Kow = -0.18
Stability/Shelf Life Stable in air.
Decomposition Hydrolysis DT50 4.3 hr (pH 1), 25 days (pH 5).
Ionization Efficiency Positive
Collision Cross Section 152.5 Ų [M+H]+

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H351:Carcinogenicity
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.
P391:Collect spillage. Hazardous to the aquatic environment
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 217.23 g/mol
XLogP3 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 217.09635999 g/mol
Monoisotopic Mass 217.09635999 g/mol
Topological Polar Surface Area 70 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 325
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pymetrozine is a member of the class of 1,2,4-triazines that is 4,5-dihydro-1,2,4-triazin-3(2H)-one substituted by a methyl group at position 6 and a (pyridin-3-ylmethylidene)amino group at position 4. It has a role as an antifeedant, an environmental contaminant, a xenobiotic and a TRPV channel modulator. It is a member of 1,2,4-triazines and a member of pyridines.

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