56683-55-7
| Name | (BENZO-15-CROWN 5-ETHER)-4'-CARBOXYLIC ACID |
| CAS | 56683-55-7 |
| Molecular Formula | C15H20O7 |
| MDL Number | MFCD00143276 |
| Molecular Weight | 312.32 |
| MOL File | 56683-55-7.mol |
Chemical Properties
| Appearance | white crystalline powder |
| Melting point | 188-191 °C |
| Boiling point | 412.24°C (rough estimate) |
| density | 1.184 |
| refractive index | 1.6380 (estimate) |
| storage temp. | 2-8°C |
| solubility | almost transparency in hot Methanol |
| form | powder to crystal |
| pka | 4.25±0.20(Predicted) |
| color | White to Almost white |
| BRN | 1597153 |
| InChI | 1S/C15H20O7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2,(H,16,17) |
| InChIKey | FBNLTQGIRRAGRY-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2OCCOCCOCCOCCOc2c1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29329990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |