5-Chloro-2-phenoxybenzeneacetic acid
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5-Chloro-2-phenoxybenzeneacetic acid
structure -
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CAS No:
70958-20-2
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Formula:
C14H11ClO3
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Chemical Name:
5-Chloro-2-phenoxybenzeneacetic acid
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Synonyms:
Benzeneacetic acid,5-chloro-2-phenoxy-;5-Chloro-2-phenoxybenzeneacetic acid;(5-Chloro-2-phenoxyphenyl)acetic acid;2-(5-Chloro-2-phenoxyphenyl)acetic acid
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CAS No:
5-Chloro-2-phenoxybenzeneacetic acid Basic Attributes
262.69
262.69
615-228-1
DTXSID70509338
2918990090
Characteristics
46.5
3.5
1.3±0.1 g/cm3
124-125 °C @ Solvent: Benzene, Hexane
395.1°C at 760 mmHg
192.7±25.1 °C
1.605
Safety Information
IRRITANT
Xi
P273, P501
H412
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 17 companies from 2 notifications to the ECHA C&L Inventory.
5-Chloro-2-phenoxybenzeneacetic acid Use and Manufacturing
Synthesis of 5-chloro-2-phenoxyphenylacetic acid (compound XIVa) [Show Image] A mixture of 200 g (0.81 mol) of 5-chloro-2-phenoxyacetophenone (compound XV), as obtained in Example 13, 112.3 g (1.29 mol) of morpholine and 40 g (1.25 mol) of sulfur was stirred at 110 C for 12 hours. After cooling to room temperature, 1 L of glacial acetic acid and 1 L of concentrated aqueous hydrochloric acid were added, and the resulting mixture was stirred at reflux temperature for 8 hours. The reaction mixture was concentrated to about 1/3 of its initial volume. Then, 800 mL of water and 800 mL of methyl tert-butyl ether were added. The aqueous layer was separated, washed with 400 mL of methyl tert-butyl ether, and discarded. The organic phases were combined and washed subsequently with 1 x 500 mL and 2 x 250 mL of an 8 percent aqueous solution of sodium carbonate. The aqueous phases were combined, washed with 2 x 200 mL of methyl tert-butyl ether, and acidified to pH 1 with concentrated hydrochloric acid. 400 mL of petroleum ether were added, and the resulting mixture was stirred at room temperature for 30 minutes. The suspension was filtered, and the solid was dried until constant weight to obtain 143 g of 5-chloro-2-phenoxyphenylacetic acid (compound XIVa). Yield: 67.1 percent.
Computed Properties
Molecular Weight:262.69
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:262.0396719
Monoisotopic Mass:262.0396719
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-2-phenoxybenzeneacetic acid
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