Thionicotinamide
- Product NameThionicotinamide
- CAS4621-66-3
- CBNumberCB4489258
- MFC6H6N2S
- MW138.19
- EINECS225-036-6
- MDL NumberMFCD00006399
- MOL File4621-66-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 185-190 °C |
| Boiling point | 278.9±32.0 °C(Predicted) |
| Density | 1.235 (estimate) |
| refractive index | 1.5300 (estimate) |
| Flash point | 160 °C |
| storage temp. | Inert atmosphere,Room Temperature |
| pka | 12.01±0.29(Predicted) |
| form | Powder |
| color | Yellow to yellow-green |
| BRN | 109593 |
| InChI | InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) |
| InChIKey | XQWBMZWDJAZPPX-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1C(N)=S |
| LogP | 0.670 |
| CAS DataBase Reference | 4621-66-3(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 6A0HXX0753 |
| EPA Substance Registry System | 3-Pyridinecarbothioamide (4621-66-3) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 24/25-36-26 | |||||||||
| RTECS | QS4488000 | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29333990 | |||||||||
| NFPA 704: |
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