CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals from isopropyl alcohol |
|---|---|
| Boiling Point | 267.6 °C |
| Melting Point | 106.1 °C |
| Solubility | In water, 0.9 mg/L at 25 °C |
| Density | 1.18 at 20 °C |
| Vapor Pressure | 9.4X10-6 mm Hg at 25 °C |
| LogP | log Kow = 4.93 at pH 7 |
| Henry's Law Constant | Henry's Law constant = 4.2X10-6 atm-cu m/mol at 25 °C (est VP/WS) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides/ and /sulfur oxides/. |
| Ionization Efficiency | Positive |
| Collision Cross Section | 173.58 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 2191 2201 2195 2219 2204 2205 2194.4 2195 2229 2182.5 2186.6 |
| Other Experimental Properties | White or pale yellow crystalline powder /Technical/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P314:Get medical advice/attention if you feel unwell. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 305.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 305.15618354 g/mol |
| Monoisotopic Mass | 305.15618354 g/mol |
| Topological Polar Surface Area | 61.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 408 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Buprofezin is a 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has Z configuration. It has a role as an insecticide and a member of homopteran inhibitor of chitin biosynthesis.