CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to beige solid; [HSDB] Colorless crystalline solid; [MSDSonline] |
|---|---|
| Color/Form | Crystalline |
| Boiling Point | 339 °C at 98.4 kPa |
| Melting Point | 85 °C |
| Solubility | Solubilities in organic solvents at 20 °C. [Table#3504] |
| Density | 1.172 at 20 °C |
| Vapor Pressure | 0.000001 [mmHg] |
| LogP | log Kow = 2.38 |
| Stability/Shelf Life | Stable in neutral, slightly acidic or basic medium |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides/. |
| Corrosivity | NONCORROSIVE |
| Dissociation Constants | pKa = 4.00, weak base |
| Kovats Retention Index | 1815 1827 1836 1848 1848 1832.7 |
| Other Experimental Properties | Hydrolyzed on warming in strong acids & bases |
| Chemical Classes | Pesticides -> Herbicides, Triazine |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 213.31 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 213.10481667 g/mol |
| Monoisotopic Mass | 213.10481667 g/mol |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 166 |
| 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
Desmetryn is a member of 1,3,5-triazines.