2-Fliuoro-5-broMo Benzonitrile
5-Bromo-2-fluorobenzonitrile
CAS: 179897-89-3
Molecular Formula: C7H3BrFN
2-Fliuoro-5-broMo Benzonitrile - Names and Identifiers
| Name | 5-Bromo-2-fluorobenzonitrile |
| Synonyms | 2- fluorine-5-broMoxynil 5-BROMO-2-FLUOROBENZONITRILE 2-Fluoro-5-bromobenzonitrile 5-Bromo-2-fluorobenzonitrile 2-Fliuoro-5-broMo Benzonitrile Benzonitrile, 5-broMo-2-fluoro- 1,3-dibromo-2-chloro-5-fluorobenzene |
| CAS | 179897-89-3 |
| InChI | InChI=1/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
| InChIKey | GYCNHFWRPJXTSB-UHFFFAOYSA-N |
2-Fliuoro-5-broMo Benzonitrile - Physico-chemical Properties
| Molecular Formula | C7H3BrFN |
| Molar Mass | 200.01 |
| Density | 1.7286 (rough estimate) |
| Melting Point | 76-81 °C |
| Boling Point | 220.4±20.0 °C(Predicted) |
| Flash Point | 87.1°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.114mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Light yellow to Light orange |
| BRN | 7701063 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5320 (estimate) |
2-Fliuoro-5-broMo Benzonitrile - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S22 - Do not breathe dust. S36 - Wear suitable protective clothing. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Hazard Note | Toxic |
| Hazard Class | 6.1 |
| Packing Group | III |
2-Fliuoro-5-broMo Benzonitrile - Reference Information
| Introduction | 2-fluoro-5-bromophenonitrile is a white to off-white powder or crystal at normal temperature and pressure, is a common organic synthesis intermediates, 2-fluoro-5-bromophenonitrile soluble in dimethyl sulfoxide, N,N-dimethylformamide, dichloromethane, ethyl acetate and other organic solvents, but poor solubility in water. |
| Use | 2-fluoro-5-bromophenonitrile as a common intermediate in organic synthesis, the main purpose is to use the bromine atom on the benzene ring, fluorine atom to synthesize the molecular structure of the target. For example, the bromine atom can be subjected to Suzuki coupling, introducing an aromatic ring or alkyl chain; Or the bromine atom can be converted into boric acid or boric acid ester, and the synthesis of complex molecules can be realized by using the ability of boric acid ester diversity conversion. The fluorine atom can also undergo a series of transformations including aromatic nucleophilic substitution reactions and the like. Finally, the cyano group on the benzene ring can be easily converted into amide, ester group, carboxyl group and the like. By selective regulation and coordination of these reactions, derivatives of 1,2, 4-trisubstituted benzenes can be rapidly synthesized. |
| synthetic method | starting from 5-bromo-2-fluorobenzaldehyde, aldehyde groups are converted to cyano groups by sequential conversion. The specific operation is to dissolve 5-bromo-2-fluorobenzaldehyde in formic acid solution, add hydroxylamine hydrochloride to the solution, and heat the reaction system to a stable reflux state in an air environment, the reflux was maintained for several hours, and the progress of the reaction was monitored by a TLC spot plate. After the reaction was completed, an ice-water mixture was added, and the solid precipitate was collected to obtain 2-fluoro-5-bromobenzonitrile. |
| Environmental hazard | 2-fluoro-5-bromophenonitrile as a halogen-containing organic compound, there is a greater risk to the water environment, not to allow undiluted or large amounts of product contact with groundwater, water channels or sewage systems. |
Last Update：2024-04-09 21:04:16
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