4-fluoro-2-hydroxybenzonitrile
- Product Name
- 4-fluoro-2-hydroxybenzonitrile
- CAS No.
- 186590-01-2
- Chemical Name
- 4-fluoro-2-hydroxybenzonitrile
- Synonyms
- 4-fluoro-2-hydroxybenzonitrile;Benzonitrile, 4-fluoro-2-hydroxy-;4-Fluoro-2-hydroxybenzonitrile 98%;4-Fluorosalicylonitrile, 2-Cyano-5-fluorophenol
- CBNumber
- CB92565591
- Molecular Formula
- C7H4FNO
- Formula Weight
- 137.11
- MOL File
- 186590-01-2.mol
4-fluoro-2-hydroxybenzonitrile Property
- Boiling point:
- 266.5±25.0 °C(Predicted)
- Density
- 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 6.17±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C7H4FNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H
- InChIKey
- ZAYFMRICIYQIAP-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(F)C=C1O
Safety
- HS Code
- 2926907090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- C979570
- Product name
- 2-Cyano-5-fluorophenol
- Packaging
- 2.5g
- Price
- $165
- Updated
- 2021/12/16
- Product number
- C979570
- Product name
- 2-Cyano-5-fluorophenol
- Packaging
- 25g
- Price
- $1130
- Updated
- 2021/12/16
- Product number
- 3308CS
- Product name
- 4-Fluoro-2-hydroxybenzonitrile
- Packaging
- 250mg
- Price
- $84
- Updated
- 2021/12/16
- Product number
- 4737-3-X8
- Product name
- 4-Fluoro-2-hydroxybenzonitrile
- Packaging
- 5G
- Price
- $197
- Updated
- 2021/12/16
- Product number
- CM156638
- Product name
- 4-fluoro-2-hydroxybenzonitrile
- Purity
- 95+%
- Packaging
- 10g
- Price
- $231
- Updated
- 2021/12/16
4-fluoro-2-hydroxybenzonitrile Chemical Properties,Usage,Production
Uses
2-Cyano-5-fluorophenol is used in the study of substituent effect on fluorobenzene derivatives on cytochrome P 450-catalyzed hydroxylation at adjacent ortho aromatic carbon center.
Synthesis
191014-55-8
186590-01-2
General procedure for the synthesis of 4-fluoro-2-hydroxybenzonitrile from 2-methoxy-4-fluorobenzonitrile: A mixture of 4-fluoro-2-methoxybenzonitrile (4.53 g, 30 mmol) and aluminum trichloride (5.0 g, 37.6 mmol; purchased from Aldrich) in anhydrous toluene (30 mL) was stirred and reacted for 18 hours at 130 °C. After completion of the reaction, the mixture was cooled to room temperature, ice water (~50 mL) was added, and extracted with ether (20 mL × 2). The organic phases were combined, washed sequentially with water and saturated brine, and then dried with anhydrous magnesium sulfate. After concentration under reduced pressure, 4-fluoro-2-hydroxybenzonitrile (3.90 g, 28.5 mmol, 95% yield) was obtained as a white solid. Its structure was confirmed by the following characterization: 1H NMR (DMSO-d6, 300 MHz) δ ppm: 6.74-6.84 (2H, m, Ar-H), 7.71 (1H, dd, J = 7 Hz, J = 8.5 Hz, Ar-H), 11.64 (1H, s, OH); 13C NMR (DMSO-d6, 75.5 MHz) δ ppm: 95.13, 102.45, 102.78, 106.53, 106.83, 115.53, 134.68, 134.84, 161.41, 161.58, 163.00, 166.35. The calculated value of the high-resolution mass spectrometry (ESI-) for C7H3NOF (M-H) was 136.0199 and the measured value was 136.0199.
References
[1] Patent: US2005/267105, 2005, A1. Location in patent: Page/Page column 67
[2] Patent: US2007/111984, 2007, A1. Location in patent: Page/Page column 33
[3] Patent: WO2007/64316, 2007, A1. Location in patent: Page/Page column 153
[4] Patent: WO2007/39172, 2007, A1. Location in patent: Page/Page column 157-158
[5] Patent: US2008/261979, 2008, A1. Location in patent: Page/Page column 74
4-fluoro-2-hydroxybenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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