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

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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

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Safety

HS Code: 2926907090

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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.

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N-Bromosuccinimide Price

TRC

Product number: C979570
Product name: 2-Cyano-5-fluorophenol
Packaging: 2.5g
Price: $165
Updated: 2021/12/16

TRC

Product number: C979570
Product name: 2-Cyano-5-fluorophenol
Packaging: 25g
Price: $1130
Updated: 2021/12/16

AK Scientific

Product number: 3308CS
Product name: 4-Fluoro-2-hydroxybenzonitrile
Packaging: 250mg
Price: $84
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4737-3-X8
Product name: 4-Fluoro-2-hydroxybenzonitrile
Packaging: 5G
Price: $197
Updated: 2021/12/16

Ambeed

Product number: A114785
Product name: 4-Fluoro-2-hydroxybenzonitrile
Purity: 98%
Packaging: 250mg
Price: $14
Updated: 2021/12/16

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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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4-fluoro-2-hydroxybenzonitrile Suppliers

China 53 India 1 United Kingdom 1 United States 4 Global 59

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186590-01-2, 4-fluoro-2-hydroxybenzonitrileRelated Search:

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186590-01-2