2-CHLORO-6-HYDROXYBENZONITRILE
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2-CHLORO-6-HYDROXYBENZONITRILE
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CAS No:
89999-90-6
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Formula:
C7H4ClNO
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Chemical Name:
2-CHLORO-6-HYDROXYBENZONITRILE
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Synonyms:
Benzonitrile, 2-chloro-6-hydroxy-;2-Hydroxy-6-chlorobenzonitrile;2-CHLORO-6-HYDROXYBENZONITRILE;3-Chloro-2-cyanophenol;2-Chloro-6-hydroxybenzoni...;2-Chloro-6-hydroxybenzonitrile, 97+%
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CAS No:
2-CHLORO-6-HYDROXYBENZONITRILE Use and Manufacturing
Preparation of (R)-N-[2-Hydroxy-3-(3-chloro-2-cyanophenoxy)propyl]-1, 1-dimethyl-2-(4-methoxyphenyl)-ethylamine Hydrochloride, Compound 109 STR60 To a solution of 18-crown-6 (3.96 g, 15 mmol) in 30 mL of acetonitrile were added dry potassium acetate (1.47 g, 15 mmol) and 2-chloro-6-fluorobenzonitrile (1.56 g, 10 mmol). The reaction was refluxed under nitrogen for 25 hours, then cooled to room temperature. Sodium hydroxide (2 mL of a 10M solution, 20 mmol) and water (5 mL) were added, and the reaction stirred at room temperature for two hours. The acetonitrile was removed on a rotary evaporator, and the residue was taken up in ether and water. The basic aqueous layer was washed three times with ether. The aqueous layer was then made acidic with HCl, and the product extracted into ether. The ether layer was dried over anhydrous sodium sulfate, filtered, and concentrated. The resulting solid was crystallized from water/methanol to yield 1.11 g of b) Preparation of 2-nitro-5-chloro-6cyanophenol a) Preparation of
Computed Properties
Molecular Weight:153.56
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:152.9981414
Monoisotopic Mass:152.9981414
Topological Polar Surface Area:44
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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