4-Fluoro-3-methoxybenzaldehyde
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4-Fluoro-3-methoxybenzaldehyde
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CAS No:
128495-46-5
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Formula:
C8H7FO2
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Chemical Name:
4-Fluoro-3-methoxybenzaldehyde
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Synonyms:
Benzaldehyde,4-fluoro-3-methoxy-;4-Fluoro-3-methoxybenzaldehyde;4-Fluoro-m-anisaldehyde;3-Methoxy-4-fluorobenzaldehyde;4-Fluoro-5-methoxybenzaldehyde
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CAS No:
4-Fluoro-3-methoxybenzaldehyde Basic Attributes
154.14
154.14
5178063
1806241-263-5
DTXSID60372013
2913000090
Safety Information
IRRITANT
NONH for all modes of transport
2
22-37/38-41-36/37/38
26-36
Xn,Xi
Irritant
P261-P280-P305 + P351 + P338
H302-H315-H318-H335
|Danger|H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Fluoro-3-methoxybenzaldehyde Use and Manufacturing
(4-FLUORO-3-METHOXYPHENYL) METHANOL (5. 00G, 0. 03mol) and manganese dioxide (33.4g, 0. 38MOL) were stirred in DICHLOROMETHANE (100ml) under an atmosphere of nitrogen, at gentle reflux for 16 hours. The cooled reaction mixture was then filtered through arbacel and concentrated in vacuo to give the title compound as a white solid (4.18g, 0. 027MOL, 85percent). 1H NMR (CDCI3, 400MHZ) 8 : 3.96 (s, 3H), 7.23 (d, 1H), 7.43 (m, 1 H), 7.50 (d, 1 H) 9.91 (s, 1H). Mpt: 61-63°C. Analysis found C, 62.18 ; H, 4.54percent. C8H7FO2 requires C, 62.34 ; H, 4.58percent.(4-Fluoro-3-methoxyphenyl) methanol (5.0Og, 0.03mol) and manganese dioxide (33.4g, 0.38mol) were stirred in dichloromethane (100ml) under an atmosphere of nitrogen, at gentle reflux for 16 hours. The To a solution of (4-fluoro-3-methoxyphenyl) methanol (1.56 g, 10 mmol) in dichloromethane (40 mL) was added chromium trioxide pyridine (4.31 g, 20 mmol). The mixture was stirred at room temperature for 30 min and filtered. The filtrate was poured onto a short silica gel column, and eluted with dichloromethane. The resulting solution was concentrated under vacuum to afford the title compound (1.25 g, 81 percent). To a solution of (4-fluoro-3-methoxyphenyl) methanol (1.56 g, 10 mmol) in dichloromethane (40 mL) was added chromium trioxide pyridine (4.31 g, 20 mmol). The mixture was stirred at room temperature for 30 min and filtered. The filtrate was poured onto a short silica gel column, and eluted with dichloromethane. The resulting solution was concentrated under vacuum to afford the title compound (1.25 g, 81 percent).
Computed Properties
Molecular Weight:154.14
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.04300762
Monoisotopic Mass:154.04300762
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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