Indole-5-carboxaldehyde
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Indole-5-carboxaldehyde
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CAS No:
1196-69-6
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Formula:
C9H7NO
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Chemical Name:
Indole-5-carboxaldehyde
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Synonyms:
5-FORMYLINDOLE;5-INDOLEALDEHYDE;INDOLE-5-ALDEHYDE;5-Formyl-1H-indole;INDOLE-5-CARBALDEHYDE;Indole-5-Carboxadehyde;INDOLE-5-CARBOXALDEHYDE;1H-indol-5-carbaldehyde;1H-INDOLE-5-CARBALDEHYDE;INDOLE-5-CARBOXYALDEHYDE
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CAS No:
Characteristics
32.9
1.8
Orange or tan Powder
1.278±0.06 g/cm3(Predicted)
100-103 °C(lit.)
339.1±15.0 °C(Predicted)
166.8±27.8 °C
1.729
Insoluble in water.
Keep Cold
9.42E-05mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37/39
Xi
Irritant/Keep Cold
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Indole-5-carboxaldehyde Use and Manufacturing
The reaction was performed in high pressure autoclave of 100 mL capacity manufactured by M/s Amar Industries. Toluene (10 mL), Pd(acac)A mixture of (1H-indol-5-yl)-methanol (3.8 g, 25.8 mmol) and manganese oxide (5 g, 57.5 mmol) in dichloromethane (50 mL) was stirred at room temperature for 60 hours.
Reactant in preparation of curcumin derivatives as anti-proliferative & anti-inflammatory agents 1 Reactant in preparation of analogs of botulinum neurotoxin serotype A protease inhibitors 2 Reactant in stereoselective synthesis of dibenzylideneacetone derivatives as β-amyloid imaging probes 3 Reactant in synthesis of para-para stilbenophanes by McMurry coupling 4 Reactant in stereoselective synthesis of heteroaromatic (E)-α,β-unsaturated ketones from aldehydes 5 Reactant in structure-based drug design of aurora kinase A inhibitors.
Computed Properties
Molecular Weight:145.16
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:32.9
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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