94-81-5
| Name | MCPB |
| CAS | 94-81-5 |
| EINECS(EC#) | 202-365-3 |
| Molecular Formula | C11H13ClO3 |
| MDL Number | MFCD00002820 |
| Molecular Weight | 228.67 |
| MOL File | 94-81-5.mol |
Chemical Properties
| Melting point | 101-102℃ (ligroine ) |
| Boiling point | 327.31°C (rough estimate) |
| density | 1.2076 (rough estimate) |
| refractive index | 1.4530 (estimate) |
| storage temp. | 0-6°C |
| form | neat |
| pka | 4.58±0.10(Predicted) |
| Water Solubility | 44mg/L(room temperature) |
| BRN | 2215202 |
| Henry's Law Constant | 3.6×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture environmental |
| InChI | InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14) |
| InChIKey | LLWADFLAOKUBDR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCOC1=CC=C(Cl)C=C1C |
| Uses | |
| EPA Substance Registry System | MCPB (94-81-5) |
Safety Data
| Hazard Codes | N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN3077 9/PG 3 |
| WGK Germany | 2 |
| RTECS | ES8575000 |
| HS Code | 29189900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 94-81-5(Hazardous Substances Data) |
| Toxicity |