CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White odorless solid; [HSDB] White crystalline solid; [MSDSonline] |
|---|---|
| Color/Form | WHITE CRYSTALS |
| Odor | ODORLESS |
| Melting Point | 167 °C |
| Flash Point | 325 °F (OPEN CUP) |
| Solubility | 31570.0 ppm in acetonitrile at 25 °C; 15470.0 ppm in toluene at 25 °C; 7280.0 ppm in benzene at 25 °C; 2230.0 ppm in carbon tetrachloride at 25 °C; 10.0 ppm in n-hexane at 25 °C; 233429.0 ppm in dimethylformamide at 25 °C; 190710.0 ppm in acetic acid @ 25 °C; 142430.0 ppm in acetone @ 25 °C; 94290.0 ppm in ethyl acetate @ 25 °C; 73820.0 ppm in chloroform @ 25 °C; 52860.0 ppm in ethanol @ 25 °C |
| Density | 1.24 G/CU CM |
| Vapor Pressure | 0.0000003 [mmHg] |
| LogP | log Kow= 3.06 |
| Stability/Shelf Life | STABLE UNDER ORDINARY CONDITIONS |
| Decomposition | When heated to decomposition it emits /hydrogen chloride and nitrogen oxides/. |
| Corrosivity | NONCORROSIVE UNDER NORMAL USE CONDITIONS |
| Kovats Retention Index | 1838.9 1835.1 1833.9 |
| Other Experimental Properties | THE CHLORINE CAN BE REPLACED SLOWLY BY HYDROXYL BY REFLUX IN AQ ACIDS OR BASES |
| Chemical Classes | Pesticides -> Herbicides, Triazine |
COMPUTED DESCRIPTORS
| Molecular Weight | 227.69 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 227.0937732 g/mol |
| Monoisotopic Mass | 227.0937732 g/mol |
| Topological Polar Surface Area | 62.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 209 |
| 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 |