1-BENZYL-1H-INDOLE-3-CARBALDEHYDE
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1-BENZYL-1H-INDOLE-3-CARBALDEHYDE
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CAS No:
10511-51-0
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Formula:
C16H13NO
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Chemical Name:
1-BENZYL-1H-INDOLE-3-CARBALDEHYDE
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Synonyms:
OTAVA-BB BB7211740014;TIMTEC-BB SBB003250;BUTTPARK 97\57-100;ASISCHEM R41418;AKOS BBS-00004798;1-BENZYLINDOLE-3-CARBOXALDEHYDE;1-BENZYL-1H-INDOLE-3-CARBALDEHYDE;1-BENZYL-1H-INDOLE-3-CARBOXALDEHYDE
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CAS No:
Characteristics
22
3.50210
1.10±0.1 g/cm3(Predicted)
106-108 °C(Solv: methanol (67-56-1))
439.8±28.0 °C(Predicted)
219.8ºC
1.606
−20°C
6.19E-08mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-43
36/37
Xn,C,Xi
P280
H302-H317
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-BENZYL-1H-INDOLE-3-CARBALDEHYDE Use and Manufacturing
reactant in preparation of inhibitor of the C-terminal domain of RNA polymerase II 1 reactant in Nazarov type electrocyclization 2 reactant in preparation inhibitors of Bcl-2 family of proteins 3 reactant for Mannich type coupling with aldehydes and secondary amines.
Computed Properties
Molecular Weight:235.28
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:235.099714038
Monoisotopic Mass:235.099714038
Topological Polar Surface Area:22
Heavy Atom Count:18
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-BENZYL-1H-INDOLE-3-CARBALDEHYDE
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