(2-Fluorophenyl)acetic acid
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(2-Fluorophenyl)acetic acid
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CAS No:
451-82-1
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Formula:
C8H7FO2
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Chemical Name:
(2-Fluorophenyl)acetic acid
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Synonyms:
Benzeneacetic acid,2-fluoro-;Acetic acid,(o-fluorophenyl)-;2-Fluorobenzeneacetic acid;(o-Fluorophenyl)acetic acid;(2-Fluorophenyl)acetic acid;NSC 401;2-(2-Fluorophenyl)ethanoic acid hydrochloride;o-Fluorobenzeneacetic acid;2-(2-Fluorophenyl)acetic acid
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CAS No:
(2-Fluorophenyl)acetic acid Basic Attributes
154.14
154.14
775955
207-196-9
401
DTXSID1060007
2916399090
Characteristics
37.3
1.5
white to off-white shiny crystals or crystalline
1.3±0.1 g/cm3
63 °C
259.6°C at 760 mmHg
110.8±20.4 °C
1.529
Store in a cool, dry place. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.00656mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
38-36/37/38
22-24/25-36/37/39-27-26
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
(2-Fluorophenyl)acetic acid Use and Manufacturing
General procedure: A 100 mL reactor equipped with Teflon-coated magnetic stir bars was charged with n-Butyl alcohol (20 mL) and the catalyst (0.5 mmol). The reactor was then taken out of the glove box and pressured with carbon monoxide (1 atm). The mixture was stirred 2 h at 60 °C, cooled to ambient temperature and slowly vented. After benzyl chloride (10 mmol), NaOH (15 mL, 15percent), and TBAI (0.25 mmol) were added, the reactor was sealed and the reaction mixtures were stirred for 22 h at 60 °C under carbon monoxide (1 atm). After the reaction, the water phase was detached and washing the organic phase three times with H
Used as pharmaceutical intermediate
Benzeneacetic acid, 2-fluoro-: ACTIVE
Computed Properties
Molecular Weight:154.14
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.04300762
Monoisotopic Mass:154.04300762
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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