5-Chloro-1H-indole-3-carbonitrile
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5-Chloro-1H-indole-3-carbonitrile
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CAS No:
194490-14-7
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Formula:
C9H5ClN2
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Chemical Name:
5-Chloro-1H-indole-3-carbonitrile
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Synonyms:
1H-Indole-3-carbonitrile,5-chloro-;5-Chloro-1H-indole-3-carbonitrile
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CAS No:
Characteristics
39.6
2.9
1.41
198-199 °C
383.8±22.0 °C(Predicted)
185.9ºC
1.686
4.28E-06mmHg at 25°C
5-Chloro-1H-indole-3-carbonitrile Use and Manufacturing
General procedure: A mixture of CuI (0.6 mmol), indoles (0.5 mmol) and benzyl cyanide (0.6 mmol) in DMF (3.0 mL) was stirred under air at 100 °C for 34 h and then cooled to room temperature. After the reaction mixture was quenched with 10 mL of water, it was extracted with DCM (3×10 mL). The combined organic layers were washed with the saturated aqueous solution of sodium chloride and dried over MgSO
Computed Properties
Molecular Weight:176.60
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:176.0141259
Monoisotopic Mass:176.0141259
Topological Polar Surface Area:39.6
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-1H-indole-3-carbonitrile
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