2,4-Difluoro-alpha-(1H-1,2,4-triazolyl)acetophenone
- Product Name2,4-Difluoro-alpha-(1H-1,2,4-triazolyl)acetophenone
- CAS86404-63-9
- CBNumberCB6684361
- MFC10H7F2N3O
- MW223.18
- EINECS617-850-9
- MDL NumberMFCD02093825
- MOL File86404-63-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 103-107 °C(lit.) |
| Boiling point | 388.0±52.0 °C(Predicted) |
| Density | 1.39±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 2.05±0.10(Predicted) |
| color | White to pale brown |
| InChI | InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2 |
| InChIKey | XCHRPVARHBCFMJ-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C(F)C=C1F)CN1C=NC=N1 |
| CAS DataBase Reference | 86404-63-9(CAS DataBase Reference) |
| FDA UNII | HXI8R9R915 |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29339900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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