3-Fluorophenylacetic acid
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3-Fluorophenylacetic acid
structure -
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CAS No:
331-25-9
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Formula:
C8H7FO2
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Chemical Name:
3-Fluorophenylacetic acid
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Synonyms:
Benzeneacetic acid,3-fluoro-;Acetic acid,(m-fluorophenyl)-;3-Fluorobenzeneacetic acid;3-Fluorophenylacetic acid;(m-Fluorophenyl)acetic acid;m-Fluorophenylacetic acid;NSC 88344;2-(3-Fluorophenyl)acetic acid
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CAS No:
3-Fluorophenylacetic acid Basic Attributes
154.14
154.14
775898
206-360-7
88344
DTXSID0059821
29163900
Characteristics
37.3
1.7
Off white crystals.
1.3±0.1 g/cm3
43 °C
151 °C
>230 °F
1.529
Slightly soluble in chloroform and methanol. Insoluble in water.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
IRRITANT
NONH for all modes of transport
3
38-36/37/38
22-24/25-36-26
Xi
Irritant
P264, P280, P302+P352, P321, P332+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 204 companies from 6 notifications to the ECHA C&L Inventory.
3-Fluorophenylacetic 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, 3-fluoro-: INACTIVE
Computed Properties
Molecular Weight:154.14
XLogP3:1.7
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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