1-benzyl-1H-indole-5-carbaldehyde

Basic Information

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CAS Number

63263-88-7

Molecular Formula

C16H13NO

Molecular Weight

235.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)C=O

InChI

InChI=1S/C16H13NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h1-10,12H,11H2

InChIKey

UGAFQBZJAVJZOV-UHFFFAOYSA-N

LogP

3.502100000000002

Topological Polar Surface Area

22.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

285

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-Benzylindole-5-carboxaldehyde
1-Benzyl-1H-indole-5-carbaldehyde
1-benzylindole-5-carbaldehyde
N-benzylindol-5-ylcarboxaldehyde
1-benzyl-1H-indole-5-carbaldehyde
SCHEMBL14207388
A1-01404
DTXSID50445765
CS-0319672
63263-88-7
MFCD09455245
STK501445
LS-01870
AKOS000321737

MDL Number

MFCD09455245

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-benzyl-1H-indole-5-carbaldehyde (CAS: 63263-88-7)?

1-benzyl-1H-indole-5-carbaldehyde (CAS: 63263-88-7) falls under various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations for European manufacturers, and FDA/EPA requirements for use in food, pharmaceuticals, and environmental safety. Proper storage, handling, and disposal must adhere to these guidelines to ensure safety and compliance.

Are there alternatives to 1-benzyl-1H-indole-5-carbaldehyde (CAS: 63263-88-7) in synthesis?

For synthesizing similar functionalities, alternatives such as benzylidene acetophenone or indanones can be considered. These compounds offer similar reactivity profiles and can be used as substitutes in various synthetic routes, providing flexibility in chemical synthesis.

What is the market or research trend for 1-benzyl-1H-indole-5-carbaldehyde (CAS: 63263-88-7)?

There is a growing interest in the use of 1-benzyl-1H-indole-5-carbaldehyde (CAS: 63263-88-7) in drug discovery and organic synthesis due to its unique chemical properties. Research trends indicate increased exploration in its application as a scaffold for medicinal chemistry and as a building block in various synthetic pathways.

How should waste containing 1-benzyl-1H-indole-5-carbaldehyde (CAS: 63263-88-7) be handled?

Waste containing 1-benzyl-1H-indole-5-carbaldehyde (CAS: 63263-88-7) should be collected in appropriate containers and disposed of through controlled incineration or through professional waste disposal services. Environmental protections and safety measures must be followed to prevent contamination and ensure compliance with local regulations.