Benzonitrile, 4-chloro-2-hydroxy-
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Benzonitrile, 4-chloro-2-hydroxy-
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CAS No:
30818-28-1
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Formula:
C7H4ClNO
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Chemical Name:
Benzonitrile, 4-chloro-2-hydroxy-
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Synonyms:
Benzonitrile, 4-chloro-2-hydroxy-;4-Chloro-2-hydroxy benzonitrile;5-Chloro-2-cyanophenol, 4-Chlorosalicylonitrile;4-Chlorosalicylonitrile;5-Chloro-2-cyanophenol
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Benzonitrile, 4-chloro-2-hydroxy- Use and Manufacturing
A 3 L round bottom flask was charged with General procedure: Methyl 2-(bromomethyl)thiophene-3-carboxylate 1a or 1b, 5 mmol, was dissolved in 15 mL of anhydrous DMF, 5 mmol of nitrile 2a'2e and 1.38 g (10 mmol) of potassium carbonate were added, and the mixture was stirred for 2 h at 55'60 °C. The solvent was removed under reduced pressure, the residue was treated with 20 mL of water, and the precipitate was filtered off, washed with 10 mL of water, dried, and recrystallized from ethanol.
Computed Properties
Molecular Weight:153.56
XLogP3:2.7
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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