3-Fluoro-4-hydroxybenzeneacetic acid
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3-Fluoro-4-hydroxybenzeneacetic acid
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CAS No:
458-09-3
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Formula:
C8H7FO3
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Chemical Name:
3-Fluoro-4-hydroxybenzeneacetic acid
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Synonyms:
Benzeneacetic acid,3-fluoro-4-hydroxy-;Acetic acid,(3-fluoro-4-hydroxyphenyl)-;3-Fluoro-4-hydroxybenzeneacetic acid;Capacin;3-Fluoro-4-hydroxyphenylacetic acid;Kapacin;Thyreostaticum EBEWE;Wiflucin;2-(3-Fluoro-4-hydroxyphenyl)acetic acid
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CAS No:
3-Fluoro-4-hydroxybenzeneacetic acid Basic Attributes
170.14
170.14
207-275-8
DTXSID30196622
29182900
Characteristics
57.5
1.1
WHITE TO OFF-WHITE POWDER OR CRYSTALS
1.423 g/cm3
132-133 °C
320.3°C at 760 mmHg
147.5ºC
0.000133mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
3-Fluoro-4-hydroxybenzeneacetic acid Use and Manufacturing
To a mixture of 9 (45 g, 0.245 mol) in 500 mL toluene was added aluminium chloride (42.8 g, 0.32 mol) slowly to maintain the temperature not exceeding 25 °C, The mixture was then boiled for 5 h and 260 mL of 10percent HCl was added to the cooled solution. The precipitate was filtered off, the filtrate was extracted twice by 75 mL of 1, 2-dichloroethane and combined extracts were washed successively by 5percent NaOH and water. The alkaline solution was combined with the precipitate and after adjusting pH to 12 by 5percent NaOH, it was filtered over the charcoal and the filtrate was acidified by 50percent H
Computed Properties
Molecular Weight:170.14
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.03792224
Monoisotopic Mass:170.03792224
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Fluoro-4-hydroxybenzeneacetic acid
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