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| | 2-Fluoro-4-hydroxybenzonitrile Basic information |
| | 2-Fluoro-4-hydroxybenzonitrile Chemical Properties |
| Melting point | 123-125 °C (lit.) | | Boiling point | 285.4±25.0 °C(Predicted) | | density | 1,45 g/cm3 | | storage temp. | Sealed in dry,Room Temperature | | solubility | 4.7g/l | | pka | 6.84±0.18(Predicted) | | form | powder to crystal | | color | White to Almost white | | PH | 4.2 (H2O, 20℃)(saturated aqueous solution) | | BRN | 4741066 | | InChI | InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H | | InChIKey | REIVHYDACHXPNH-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC=C(O)C=C1F | | CAS DataBase Reference | 82380-18-5(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi,T | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-36-37/39 | | RIDADR | 3276 | | WGK Germany | 2 | | Hazard Note | Irritant | | HazardClass | 9 | | PackingGroup | III | | HS Code | 29269095 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1 |
| | 2-Fluoro-4-hydroxybenzonitrile Usage And Synthesis |
| Chemical Properties | Off-white Cryst | | Uses | 2-Fluoro-4-hydroxybenzonitrile may be used in the synthesis of 4-cyano-3-fluorophenyl 4-(hexadecyloxy) benzoate. | | Uses | Intermediates of Liquid Crystals | | General Description | 2-Fluoro-4-hydroxybenzonitrile is a planar molecule. Its mol-ecules are arranged in linear chains via weak intermolecular O-HN hydrogen bonds. | | Synthesis | General procedure for the synthesis of 2-fluoro-4-hydroxybenzonitrile from 4-bromo-2-fluorobenzonitrile: 4-bromo-2-fluorobenzonitrile (0.25 mmol), copper bromide (0.03 mmol), triethylamine (0.25 mmol, 1.0 eq.), formic acid (0.75 mmol, 3.0 eq.), and acetonitrile (179 mmol) were added to a reaction flask at room temperature. were used as reaction solvents. The reaction mixture was stirred at room temperature for 24 h under oxygen atmosphere. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, water (20 mL) and ethyl acetate (10 mL) were added to the reaction mixture for extraction, and the organic phases were combined and dried over anhydrous sodium sulfate. The dried organic phase was filtered and the filter cake was washed with ethyl acetate (5 mL × 3 times). Subsequently, the solvent was removed by rotary evaporator. The crude product was purified by column chromatography (eluent ratio: petroleum ether/ethyl acetate = 6:1) to afford the target product 2-fluoro-4-hydroxybenzonitrile in yellow liquid form in 82% yield. | | References | [1] Organic Letters, 2018, vol. 20, # 3, p. 708 - 711
[2] Patent: CN107915586, 2018, A. Location in patent: Paragraph 0097-0100 |
| | 2-Fluoro-4-hydroxybenzonitrile Preparation Products And Raw materials |
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