|
|
| | 5-Bromo-2-fluorobenzonitrile Basic information |
| | 5-Bromo-2-fluorobenzonitrile Chemical Properties |
| Melting point | 76-81 °C | | Boiling point | 220.4±20.0 °C(Predicted) | | density | 1.7286 (rough estimate) | | refractive index | 1.5320 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | color | White to Light yellow to Light orange | | BRN | 7701063 | | InChI | InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H | | InChIKey | GYCNHFWRPJXTSB-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC(Br)=CC=C1F | | CAS DataBase Reference | 179897-89-3(CAS DataBase Reference) |
| Hazard Codes | Xn,T,Xi | | Risk Statements | 36/37/38-20/21/22 | | Safety Statements | 36/37/39-26-22-36 | | RIDADR | 3439 | | WGK Germany | 3 | | Hazard Note | Toxic | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 5-Bromo-2-fluorobenzonitrile Usage And Synthesis |
| Chemical Properties | white to off-white powder or crystals | | Uses | 5-Bromo-2-fluorobenzonitrile may be used for the preparation of the following compounds:
- (E)-5-(2-cyclopropylvinyl)-2-fluorobenzonitrile and methyl-3-amino-5-bromobenzo[b]thiophene-2-carboxylate
- (S)-[2-[5-(3-cyano-4-fluoro-phenyl)-pyridin-3-yloxy]-1-(1H-indol-3-ylmethyl)-ethyl]-carbamic acid tert-butyl ester
- 4-fluoro-3-cyano-3′-tributyltinbenzhydrol
- 4-fluoro-3-cyano-3′-iodobenzhydrol
| | Synthesis | 5-Bromo-2-fluorobenzonitrile is the key intermediate of the synthetic antigout drug Febuxostat. The synthesis method comprises the following steps: reacting o-fluorobenzoyl chloride with ammonia water to obtain o-fluorobenzamide; then generating o-fluorobenzonitrile under the action of a dehydration reagent; and finally, in 75-90% sulfuric acid, brominating with dibromohydantoin to obtain 5-bromo-2-fluorobenzonitrile. The synthesis method is simple and easy to implement, mild in conditions, low in production cost, and causes no wastewater discharge. |
| | 5-Bromo-2-fluorobenzonitrile Preparation Products And Raw materials |
|