Indole-5-carbonitrile
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Indole-5-carbonitrile
structure -
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CAS No:
15861-24-2
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Formula:
C9H6N2
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Chemical Name:
Indole-5-carbonitrile
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Synonyms:
1H-Indole-5-carbonitrile;Indole-5-carbonitrile;5-Cyanoindole;5-Cyano-1H-indole
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CAS No:
Characteristics
39.6
2.4
white to cream crystal
1.1777 (rough estimate)
106-108 °C
249.72°C (rough estimate)
121.9±5.6 °C
1.6211 (estimate)
soluble in chloroform, hexane and methanol. Insoluble in water.
0-6ºC
4.51E-05mmHg at 25°C
Safety Information
III
6.1
3276
3
R20/21/22
26-36-22
NL5993120
Xi,Xn
Stable under normal temperatures and pressures. May discolor on exposure to light.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H302 (20.83%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Indole-5-carbonitrile Use and Manufacturing
• ;Reactant for parallel synthesis of dihydroisoquinolines via silver and L-proline co-catalyzed three-component coupling reaction1• ;Reactant for chemoselective and regioselective preparation of benzoyl indoles2• ;Reactant for preparation of novel PPARα/γ dual agonists for potential treatment of metabolic syndrome and IDDM3• ;Reactant for preparation of 4,5-dihydrocyclopenta[c]quinolines by palladium-catalyzed ring-expansion reaction alkynes, using O2 as the oxidant4• ;Reactant for preparation
Computed Properties
Molecular Weight:142.16
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:142.053098200
Monoisotopic Mass:142.053098200
Topological Polar Surface Area:39.6
Heavy Atom Count:11
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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