1H-Indole-3-carbaldehyde

Basic Information

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CAS Number

487-89-8

Molecular Formula

C9H7NO

Molecular Weight

145.16 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

Basic Physical Properties

Melting Point

193.0 to 200.0 deg-C

Boiling Point

264.27°C (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

240 ºC

Refractive Index

1.4500 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=CN2)C=O

InChI

InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H

InChIKey

OLNJUISKUQQNIM-UHFFFAOYSA-N

LogP

1.9804

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

1H-indole-3-carbaldehyde1H-Indole-3-carboxaldehyde487-89-8246045-99-8.beta.-IndolylaldehydeIndole-3-carbaldehydeIndole-3-carboxaldehyde57210_FLUKA129445_ALDRICHZINC00087959SBB004120BAS 07339836C084933
CS-W007376
Indole-3-aldehyde
Indol-3-carboxaldehyde
3-Formylindol
3-Indolylformaldehyde, 3-Formylindole, Indole-3-carbaldehyde
C08493
BB 0242392
AKOS000119898
I3CHO
INDOLE-3-CARBOXYALDEHYDE
HY-W007376
PS-5323
indole-3-carboaldehyde
Indole-3-carboxaldehyde, 97%
1H-Indole-3-carbaldehyde
A-Indolylaldehyde
MFCD00005622
BRN 0114117
BDBM50182880
SB14957
1228547-52-1
CHEBI:28238
3-Indolecarbaldehyde
INDOLE-3-CARBOXALDEHYDE
3-indole aldehyde
3-indolemethanal
indole-3-carboxy-aldehyde
CU-00000000108-1
AM1029
Indole-3-carboxaldehyde, purum, >=98.0% (T)

MDL Number

MFCD00005622

Customs Code

2942000000

FAQ

What is 1H-Indole-3-carbaldehyde (CAS: 487-89-8)?

1H-Indole-3-carbaldehyde (CAS: 487-89-8) is an organic compound with the chemical formula C8H7NO. It features an indole ring system functionalized with a carbaldehyde group at the 3-position, making it a key intermediate in pharmaceutical and chemical synthesis. The compound is a white crystalline solid with a pungent odor, and it exhibits solubility in ethanol and other polar organic solvents. Its molecular structure is crucial for bioactive molecule development.

What are the main uses of 1H-Indole-3-carbaldehyde (CAS: 487-89-8)?

1H-Indole-3-carbaldehyde (CAS: 487-89-8) is widely used in pharmaceuticals as a precursor for drugs like antidepressants and antipsychotics. It also serves in organic synthesis for creating complex molecules, industrial applications for dye production, and research for studying biological activity. Its versatility in chemical reactivity makes it valuable in developing agrochemicals and functional materials.

Is 1H-Indole-3-carbaldehyde (CAS: 487-89-8) safe?

1H-Indole-3-carbaldehyde (CAS: 487-89-8) requires careful handling due to potential irritant properties. It may cause harm if inhaled, ingested, or contacted with skin, so protective measures like gloves, goggles, and proper ventilation are essential. Safety standards emphasize adherence to OSHA guidelines and controlled environments to minimize exposure risks during storage and use.

How should 1H-Indole-3-carbaldehyde (CAS: 487-89-8) be stored?

1H-Indole-3-carbaldehyde (CAS: 487-89-8) should be stored in a cool, dry, and light-protected environment at 2-8°C. Keep in a sealed, airtight container to prevent moisture absorption and contamination. Avoid exposure to air and heat to maintain stability, and ensure proper labeling for safe handling and storage.