Indole-4-carboxaldehyde
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Indole-4-carboxaldehyde
structure -
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CAS No:
1074-86-8
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Formula:
C9H7NO
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Chemical Name:
Indole-4-carboxaldehyde
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Synonyms:
1H-Indole-4-carboxaldehyde;Indole-4-carboxaldehyde;4-Formylindole;4-Indolecarbaldehyde;NSC 337264;4-Formyl-1H-indole;1H-Indole-4-carbaldehyde
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CAS No:
Description
White to dark brown solid
Indole-4-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 4 has been replaced by a formyl group. It has a role as an algal metabolite. It is a member of indoles and a heteroarenecarbaldehyde.
Characteristics
32.9
2.2
Straw yellow or brown powder
1.278±0.06 g/cm3(Predicted)
141-143 °C
339.1±15.0 °C(Predicted)
166.8±27.8 °C
1.729
Soluble in ethanol and acetone. Insoluble in water.
Keep Cold
9.42E-05mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-36-43
26-36/37
Xn,Xi
Irritant/Keep Cold
P280-P305 + P351 + P338
H302-H317-H319
|Warning|H302 (85.42%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Indole-4-carboxaldehyde Use and Manufacturing
Usually used as reactant in Biginelli reaction,preparation of antitumor agents,intramolecular Friedel-Crafts acylation,preparation of inhibitors of cell division in E. Coli,synthesis of Hantzsch pyridine-containing Schiff bases.
Computed Properties
Molecular Weight:145.16
XLogP3:2.2
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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