Benzonitrile, 2-fluoro-5-formyl-
2-Fluoro-5-formylbenzonitrile
CAS: 218301-22-5
Molecular Formula: C8H4FNO
Benzonitrile, 2-fluoro-5-formyl- - Names and Identifiers
| Name | 2-Fluoro-5-formylbenzonitrile |
| Synonyms | CYANOFLUOROBENZALDEHYDE-3-4 3-Cyano-4-fluorobenzaldehyde 4-Fluoro-3-cyanobenzaldehyde 2-Fluor-5-formylbenzonitrile 2-Fluoro-5-formylbenzonitrile 3-cyano-4-flluorobenzaldehyde 2-Fluoro-5-Formyl-benzonitrile Benzonitrile, 2-fluoro-5-formyl- 6002 2-FLUORO-5-FORMYL BENZONITRILE 10014 2-FLUORO-5-FORMYL BENZONITRILE |
| CAS | 218301-22-5 |
| InChI | InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H |
| InChIKey | MOFRJTLODZILCR-UHFFFAOYSA-N |
Benzonitrile, 2-fluoro-5-formyl- - Physico-chemical Properties
| Molecular Formula | C8H4FNO |
| Molar Mass | 149.12 |
| Density | 1.25±0.1 g/cm3(Predicted) |
| Melting Point | 80-84 °C (lit.) |
| Boling Point | 215.6±20.0 °C(Predicted) |
| Solubility | Chloroform, Methanol |
| Appearance | White to yellow powder |
| Color | White |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| MDL | MFCD01863558 |
| Use | A raw material for the synthesis of 3-cyano-4-fluorobenzyl bromide in large quantities. |
Benzonitrile, 2-fluoro-5-formyl- - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Hazard Note | Harmful |
| Hazard Class | IRRITANT |
Benzonitrile, 2-fluoro-5-formyl- - Reference Information
| introduction | 2-fluoro-5-formylbenzonitrile is a nitrile derivative used to prepare heterocyclic compounds as a medicinal PARP inhibitor. |
| Application | 2-fluoro-5-formylbenzonitrile is a pharmaceutical intermediate that can be used to prepare olapani intermediate 2-fluoro-5-[(4-oxo-3, 4-dihydrodiazaphthalene-1-yl) methyl] benzoic acid. 2-Fluoro-5-formylbenzonitrile can be obtained by heating and reacting 3-bromo-4-fluoro-benzaldehyde with cuprous cyanide. |
| preparation | 3-bromo -4-fluorine-benzaldehyde (100g,0.49mol) was placed in a 1L round bottom flask, dissolved with 400 ml of NMP, then cuprous cyanide (50.6g,0.56mol) was added, and the reactant was heated to 170 ℃ and stirred overnight. After cooling to room temperature, add appropriate amount of diatomite, stir and filter. The filtrate is dissolved in 400 ml of water and 500 ml of ethyl acetate. The organic phase is washed twice and then dried with anhydrous sodium sulfate, filtered and distilled out of the solvent. The residue was recrystallized with a mixed solvent of petroleum ether and ethyl acetate to obtain 55.95g of light yellow solid. Yield: 76.1%. MS(ESI):150(M 1,100%). |
| Use | Raw material for large-scale synthesis of 3-cyano-4-fluorobenzyl bromide. |
Last Update：2024-04-09 20:45:29
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