17547-79-4
| Name | (4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid |
| CAS | 17547-79-4 |
| Molecular Formula | C11H11NO3S |
| MDL Number | MFCD01416244 |
| Molecular Weight | 237.28 |
| MOL File | 17547-79-4.mol |
Chemical Properties
| Melting point | 234-235 °C(Solv: methanol (67-56-1)) |
| Boiling point | 511.3±43.0 °C(Predicted) |
| density | 1.331±0.06 g/cm3(Predicted) |
| form | powder |
| pka | 4.25±0.10(Predicted) |
| color | White |
| InChI | 1S/C11H11NO3S/c13-10(14)5-7-6-16-9-4-2-1-3-8(9)12-11(7)15/h1-4,7H,5-6H2,(H,12,15)(H,13,14) |
| InChIKey | VCSCQLDBPVHQPW-UHFFFAOYSA-N |
| SMILES | OC(=O)CC1CSc2ccccc2NC1=O |
| CAS DataBase Reference | 17547-79-4 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P271-P261-P280 |
| WGK Germany | WGK 3 |
| HS Code | 2934999090 |
| Storage Class | 11 - Combustible Solids |