2-(Benzothioylthio)acetic acid
- Product Name2-(Benzothioylthio)acetic acid
- CAS942-91-6
- CBNumberCB8319786
- MFC9H8O2S2
- MW212.29
- EINECS213-393-0
- MDL NumberMFCD00004927
- MOL File942-91-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 125-127 °C(lit.) |
| Boiling point | 375.5±44.0 °C(Predicted) |
| Density | 1.379±0.06 g/cm3(Predicted) |
| storage temp. | Store below +30°C. |
| solubility | acetone: soluble25mg/mL, clear |
| pka | 2.91±0.10(Predicted) |
| form | powder to crystal |
| color | Orange to Brown to Dark red |
| InChI | 1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11) |
| InChIKey | XBEIANFIOZTEDE-UHFFFAOYSA-N |
| SMILES | OC(=O)CSC(=S)c1ccccc1 |
| CAS DataBase Reference | 942-91-6(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| RIDADR | UN 3335 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29309070 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 | |||||||||
| NFPA 704: |
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