62780-89-6
| Name | 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one |
| CAS | 62780-89-6 |
| EINECS(EC#) | 263-731-6 |
| Molecular Formula | C10H11ClN2O |
| MDL Number | MFCD00044896 |
| Molecular Weight | 210.66 |
| MOL File | 62780-89-6.mol |
Chemical Properties
| Appearance | WHITE TO SLIGHTLY BEIGE POWDER |
| Melting point | 115-125 °C |
| density | 1.2798 (rough estimate) |
| vapor pressure | 0.017Pa at 25℃ |
| refractive index | 1.5330 (estimate) |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Powder |
| pka | 12.11±0.30(Predicted) |
| color | White to slightly beige |
| Water Solubility | 210 mg/L (20 ºC) |
| InChI | InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14) |
| InChIKey | GUMPYDGUYXOYML-UHFFFAOYSA-N |
| SMILES | C1(=O)N(CCCCl)C2=CC=CC=C2N1 |
| LogP | 2.2 at 20℃ |
| CAS DataBase Reference | 62780-89-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |    GHS05,GHS07,GHS09 |
| Signal word | Danger |
| Hazard statements | H302-H315-H317-H318-H410 |
| Precautionary statements | P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 3 |
| HS Code | 29339980 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 Muta. 2 Skin Sens. 1B STOT RE 2 |