6314-28-9
| Name | Thianaphthene-2-carboxylic acid |
| CAS | 6314-28-9 |
| EINECS(EC#) | 613-148-1 |
| Molecular Formula | C9H6O2S |
| MDL Number | MFCD00051636 |
| Molecular Weight | 178.21 |
| MOL File | 6314-28-9.mol |
Chemical Properties
| Appearance | off-white to yellowish-beige crystalline powder |
| Melting point | 241-244 °C (lit.) |
| Boiling point | 280.44°C (rough estimate) |
| density | 1.3242 (rough estimate) |
| refractive index | 1.5480 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.48±0.30(Predicted) |
| color | White to Light yellow |
| Water Solubility | Soluble in ethanol, acetone and chloroform. Insoluble in water. |
| Detection Methods | HPLC |
| Merck | 14,9345 |
| BRN | 124613 |
| InChI | InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) |
| InChIKey | DYSJMQABFPKAQM-UHFFFAOYSA-N |
| SMILES | C12=CC=CC=C1C=C(C(O)=O)S2 |
| CAS DataBase Reference | 6314-28-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Thianaphthene-2-carboxylic acid(6314-28-9) |
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 |
| Hazard Note | Irritant |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |