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.