5-Bromo-1H-indole-3-carbaldehyde

Basic Information

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CAS Number

877-03-2

Molecular Formula

C9H6BrNO

Molecular Weight

224.06 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

204.0 to 208.0 deg-C

Boiling Point

395.6 °C at 760 mmHg

Density

1.727

Flash Point

193℃

Refractive Index

1.752

SMILES

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Brc1ccc2[nH]cc(C=O)c2c1

InChI

InChI=1S/C9H6BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H

InChIKey

PEENKJZANBYXNB-UHFFFAOYSA-N

LogP

2.7429000000000006

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

185

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Bromoindole-3-carboxaldehyde
5-Bromo-1H-indole-3-carbaldehyde
5-Bromo-3-formylindole
5-Bromoindole-3-carboxyaldehyde
5-Bromoindole-3-carbaldehyde
1H-Indole-3-carboxaldehyde, 5-bromo-
5-bromoindole-3-aldehyde
5-bromo-3-formyl-1h-indole
5-BROMO-1H-INDOLE-3-CARBOXALDEHYDE
NSC66831
PubChem9122
KSC494E7J
5-bromo-indole-3-carboxaldehyde
5-Bromo-1H-indole-3-carbaldehye
5-bromo-1H-indole-3-carbaldehyde
5-Bromo-1H-indole-3-carboxaldehyde (ACI)
Indole-3-carboxaldehyde, 5-bromo- (6CI, 7CI, 8CI)
NSC 66831

MDL Number

MFCD00152016

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2)?

5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2) is a crystalline solid with a molecular weight of approximately 224.04 g/mol. It is slightly soluble in water but miscible with common organic solvents like ethanol and acetone. The compound has a moderate reactivity, particularly in nucleophilic substitution reactions. It exhibits a strong absorption in the UV/Vis region, which can be used for spectroscopic analysis.

How is 5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2) typically synthesized?

5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2) is commonly synthesized by bromination of 1H-indole-3-carbaldehyde using N-bromosuccinimide (NBS) as the brominating agent. The reaction is conducted in the presence of an organic solvent such as dichloromethane. High yields can be achieved under appropriate conditions, and the product can be purified by recrystallization from an appropriate solvent.

What industries use 5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2)?

5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2) is used in the pharmaceutical industry for the synthesis of bioactive compounds. It also finds applications in the polymer industry as a precursor for the development of functional polymers. Additionally, it is utilized in the sensor industry for the preparation of gas sensors and in the semiconductor industry for the production of electronic materials.

What precautions should be taken when handling 5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2)?

5-Bromo-1H-indole-3-carbaldehyde (CAS: 877-03-2) should be handled with care in a well-ventilated area or under a fume hood. Protective equipment such as gloves, goggles, and a lab coat should be worn. Spills should be cleaned up immediately with appropriate solvent and disposed of according to local regulations. Always consult a safety data sheet (SDS) for detailed handling and storage instructions.