111988-49-9
| Name | (3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide |
| CAS | 111988-49-9 |
| EINECS(EC#) | 601-147-9 |
| Molecular Formula | C10H9ClN4S |
| MDL Number | MFCD02101042 |
| Molecular Weight | 252.72 |
| MOL File | 111988-49-9.mol |
Chemical Properties
| Melting point | 128-129° |
| Boiling point | 423.1±55.0 °C(Predicted) |
| density | 1.42±0.1 g/cm3(Predicted) |
| vapor pressure | 0-0Pa at 20-25℃ |
| storage temp. | 0-6°C |
| solubility | Chloroform: Slightly Soluble,Methanol: Slightly Soluble |
| form | neat |
| pka | 0.01±0.10(Predicted) |
| color | White to off-white |
| Henry's Law Constant | 9.0×108 mol/(m3Pa) at 25℃, HSDB (2015) |
| Major Application | agriculture environmental |
| InChI | InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10+ |
| InChIKey | HOKKPVIRMVDYPB-GXDHUFHOSA-N |
| SMILES | N1(CCS/C/1=N/C#N)CC1=CN=C(Cl)C=C1 |
| LogP | 1.3-1.4 at 24℃ and pH4-9 |
| Surface tension | 72mN/m at 150mg/L and 20℃ |
| CAS DataBase Reference | 111988-49-9(CAS DataBase Reference) |
| EPA Substance Registry System | 111988-49-9(EPA Substance) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2588 |
| WGK Germany | 2 |
| RTECS | GS6093749 |
| REACH Registrations | Active |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29349990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Acute Tox. 4 Inhalation Aquatic Acute 1 Aquatic Chronic 1 Carc. 2 Repr. 1B STOT SE 3 |
| Hazardous Substances Data | 111988-49-9(Hazardous Substances Data) |
| Toxicity |