2-Fluoro-4-hydroxybenzonitrile
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2-Fluoro-4-hydroxybenzonitrile
structure -
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CAS No:
82380-18-5
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Formula:
C7H4FNO
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Chemical Name:
2-Fluoro-4-hydroxybenzonitrile
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Synonyms:
Benzonitrile,2-fluoro-4-hydroxy-;2-Fluoro-4-hydroxybenzonitrile;3-Fluoro-4-cyanophenol;4-Hydroxy-2-fluorobenzonitrile;4-Cyano-3-fluorophenol;4-Nitrile-3-fluorophenol
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CAS No:
2-Fluoro-4-hydroxybenzonitrile Basic Attributes
137.11
137.11
4741066
422-810-7
DTXSID30370440
29269095
Characteristics
44
1.4
off-white crystal
1.3±0.1 g/cm3
123-125 °C(lit.)
261ºC
126.4±23.2 °C
1.559
Store below +30°C.
Safety Information
Ⅲ
9
3276
2
20/21/22-36/37/38
26-36-37/39
Xn,Xi,T
Irritant
P273-P280-P305 + P351 + P338
H302-H318-H411
|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Fluoro-4-hydroxybenzonitrile Use and Manufacturing
4-Bromo-2-fluorobenzonitrile (0.25 mmol), copper bromide (0.03 mmol), triethylamine (0.25 mmol, 1.0 equiv), HCOOH (0.75 mmol, 3.0 equiv) at room temperature, 179mmol of the reaction solvent CH3CN was added to the reaction tube, and the mixture was stirred at room temperature for 24 hours under the oxygen atmosphere.After the completion of the reaction was monitored by thin layer chromatography, 20 mL of water and 10 mL of ethyl acetate were added for extraction, followed by drying over anhydrous sodium sulfate, filtering after 5 minutes, washing the filter cake with ethyl acetate (5 mL×3 times), and then swirling off the solvent.The product was isolated by column chromatography (eluent: petroleum ether: ethyl acetate = 6:1), the product was a yellow liquid, yield 82percent;
Intermediates of Liquid Crystals
Computed Properties
Molecular Weight:137.11
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:137.027691913
Monoisotopic Mass:137.027691913
Topological Polar Surface Area:44
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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