| Identification | More | [Name]
3-Fluoro-2-hydroxybenzaldehyde | [CAS]
394-50-3 | [Synonyms]
3-FLUORO-2-HYDROXYBENZALDEHYDE
3-FLUOROSALICYLALDEHYDE
3-Fluoro-2-Hydroxybenzaldehyde 3-Fluoro Salicylaldehyde
3-Fluorosalicylaldehyde,98%
1-Fluoro-6-formylphenol
3-Fluoro-2-hydroxybenzaldehyde ,99%
2-Hydroxy-3-fluorobenzaldehyde | [EINECS(EC#)]
625-019-7 | [Molecular Formula]
C7H5FO2 | [MDL Number]
MFCD00003319 | [Molecular Weight]
140.11 | [MOL File]
394-50-3.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystalline powder | [Melting point ]
68-70 °C(lit.) | [Boiling point ]
176.2±20.0 °C(Predicted) | [density ]
1.350±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C, stored under nitrogen | [Water Solubility ]
Insoluble in water | [form ]
Crystalline Powder | [pka]
6.91±0.10(Predicted) | [color ]
White to light yellow | [Sensitive ]
Air Sensitive | [Detection Methods]
HPLC | [BRN ]
1932806 | [InChI]
InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H | [InChIKey]
NWDHTEIVMDYWQJ-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=CC(F)=C1O | [CAS DataBase Reference]
394-50-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29124990 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystalline powder | [Synthesis Reference(s)]
Journal of the American Chemical Society, 68, p. 2502, 1946 DOI: 10.1021/ja01216a020 | [Synthesis]
A hexane solution of n-butyllithium (17.07 mL, 1.42 M, 25.1 mmol) was slowly added dropwise to a stirred solution of 2-(2-bromo-5-methoxyphenyl)-1,3-dioxolane (5.00 g, 19.3 mmol) dissolved in dry tetrahydrofuran (60 mL) at -78°C. The reaction mixture was stirred continuously at -78 °C for 30 min before being quenched by the addition of iodomethane (2.40 mL, 38.6 mmol). After quenching, the solution was continued stirring at -78 °C for 20 min, followed by termination of the reaction with saturated aqueous ammonium chloride solution (60 mL). The organic phase was separated, dried over anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The crude product was purified by fast column chromatography using hexane:ethyl acetate (10:1) as eluent to afford the light yellow oily target product 3-fluoro-2-hydroxybenzaldehyde (3.07 g, 82% yield). Thin layer chromatography showed an Rf value of 0.40 (Expanding agent: hexane:ethyl acetate, 10:1). The NMR hydrogen spectrum (300 MHz, CDCl3) data were as follows: δ 7.20-6.99 (2H, m, Ar-H), 6.75 (1H, dd, Ar-H), 5.92 (1H, s, CH), 4.20-4.01 (4H, m, 2 × CH2), 3.80 (3H, s, OCH3), 2.32 (3H, s, CH3) . | [References]
[1] Patent: WO2004/43903, 2004, A1. Location in patent: Page 31 |
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