(2-PYRIMIDYLTHIO)ACETIC ACID
- Product Name(2-PYRIMIDYLTHIO)ACETIC ACID
- CAS88768-45-0
- CBNumberCB0345589
- MFC6H6N2O2S
- MW170.19
- EINECS289-445-1
- MDL NumberMFCD00010287
- MOL File88768-45-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 204 °C (dec.) (lit.) |
| Boiling point | 356.1±25.0 °C(Predicted) |
| Density | 1.382 (estimate) |
| refractive index | 1.6490 (estimate) |
| pka | 3.16±0.10(Predicted) |
| form | Powder |
| color | Beige to light brown |
| BRN | 136468 |
| InChI | 1S/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10) |
| InChIKey | NIEOYUNNKKAQKI-UHFFFAOYSA-N |
| SMILES | OC(=O)CSc1ncccn1 |
| LogP | 0.648 (est) |
| CAS DataBase Reference | 88768-45-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29335995 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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