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| | 2-Fluoro-5-hydroxybenzenecarbonitrile Basic information |
| Product Name: | 2-Fluoro-5-hydroxybenzenecarbonitrile | | Synonyms: | 3-Cyano-4-fluorophenol;Benzonitrile, 2-fluoro-5-hydroxy-;2-Fluoro-5-hydroxybenzenecarbonitrile;2-Fluoro-5-hydroxybenzonitrile 98%;Fluoro-5-hydroxybenzonitrile;2-Fluoro-5-hydroxybenzene;2-Fluoro-5-hydroxybenzonitrile | | CAS: | 104798-53-0 | | MF: | C7H4FNO | | MW: | 137.11 | | EINECS: | | | Product Categories: | | | Mol File: | 104798-53-0.mol |  |
| | 2-Fluoro-5-hydroxybenzenecarbonitrile Chemical Properties |
| Melting point | 111-113° | | Boiling point | 268℃ | | density | 1.34 | | Fp | 116℃ | | storage temp. | Inert atmosphere,Room Temperature | | form | solid | | pka | 8.59±0.18(Predicted) | | color | White to off-white | | InChI | InChI=1S/C7H4FNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H | | InChIKey | HFLYBTRQFOKYHC-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC(O)=CC=C1F |
| HazardClass | IRRITANT | | HS Code | 2926907090 |
| | 2-Fluoro-5-hydroxybenzenecarbonitrile Usage And Synthesis |
| Chemical Properties | off-white crytalline | | Synthesis | Example 2 Steps for the synthesis of 2,4-diaminoquinazolin-6-yl-2,5-dimethoxybenzoate (Compound 32):
Step I: 2-fluoro-5-methoxybenzonitrile (10 g, 0.066 mol) was dissolved in dry dichloromethane (DCM, 200 ml) and cooled to 0 °C. Boron tribromide (BBr3, 16 ml, 0.0092 mol) was slowly added under stirring, followed by warming the reaction mixture to room temperature and continuous stirring for 2 days. After completion of the reaction, the reaction was quenched with 10% sodium bicarbonate solution (50 ml). The aqueous layer was separated and extracted with dichloromethane (2 x 200 ml). The organic layers were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give the Step I product 2-fluoro-5-hydroxybenzonitrile (5.5 g, 61% yield). Thin layer chromatography (TLC) showed Rf = 0.4 (Expander: chloroform:methanol = 9:1). | | References | [1] Patent: WO2008/152142, 2008, A1. Location in patent: Page/Page column 23 |
| | 2-Fluoro-5-hydroxybenzenecarbonitrile Preparation Products And Raw materials |
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