4-Cyano-3-tetrahydrothiophenone
- Product Name4-Cyano-3-tetrahydrothiophenone
- CAS16563-14-7
- CBNumberCB0689162
- MFC5H5NOS
- MW127.17
- MDL NumberMFCD00059049
- MOL File16563-14-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 71 °C |
| Boiling point | 125 °C / 1mmHg |
| Density | 1.29 |
| storage temp. | 2-8°C(protect from light) |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 10.161±0.20(predicted) |
| color | White to Light yellow |
| InChI | 1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2 |
| InChIKey | OHPSBDAUCJNDHP-UHFFFAOYSA-N |
| SMILES | O=C1CSCC1C#N |
| CAS DataBase Reference | 16563-14-7 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2934.99.9001 | |||||||||
| HazardClass | IRRITANT | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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