HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluoro-2,1,3-benzoxadiazole
4-fluorobenzo[c][1,2,5]oxadiazole · 4-Fluorobenzofurazan · 4-Fluoro-2,1,3-benzoxadiazol · 4-fluoro-2,1,3-benzoxodiazole · 4-Fluoro-2,1,3-benzoxadiazole · 2,1,3-Benzoxadiazole, 4-fluoro- · 4-Fluoro-2,1,3-benzoxadiazole>4-Fluoro-2,1,3-benzoxadiazole, HPLC 98%
Identifiers & Physical Properties
| CAS No. | 29270-55-1 |
|---|---|
| Molecular formula | C6H3FN2O |
| Average molar mass | 138.1 g/mol |
| Monoisotopic mass | 138.02294094 g/mol |
| SMILES | Fc1cccc2nonc12 |
| InChIKey | QKZQJBBZKDVVFI-UHFFFAOYSA-N |
| PubChem CID | 4607136 |
| DTXSID | DTXSID50404812 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 38.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 133 |
| Boiling point | 83 °C / 12mmHg |
| Density | 1.423±0.06 g/cm3(Predicted) |
| Refractive index | 1.5250 to 1.5290 |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Chloroform (Slightly), Dichloromethane (Slightly), Ethanol (Slightly) |
| Physical state | Oil |
| pKa (acidity coefficient) | -1.81±0.45(Predicted) |
| Color | Colourless to Yellow |
| Stability | Light Sensitive |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Customs code | 2934999090 |
Safety & Regulations
| Customs code | 2934999090 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
A fluorescence benzofurazan derivative.