2-Methyl-1H-indole-3-carbaldehyde

Basic Information

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CAS Number

5416-80-8

Molecular Formula

C10H9NO

Molecular Weight

159.19 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

201.0 to 205.0 deg-C

Boiling Point

344.3°C at 760 mmHg

Density

1.226

Flash Point

169.9 °C

Refractive Index

1.698

SMILES

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CC1=C(C2=CC=CC=C2N1)C=O

InChI

InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3

InChIKey

CYZIVXOEJNAIBS-UHFFFAOYSA-N

LogP

2.2888200000000003

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

181

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

NSC-11895
EINECS 226-512-6
2-Methylindole-3-carboxaldehyde
AKOS000118949
SCHEMBL248974
AC-23428
NCGC00335106-01
AM20060663
M-3999
2-Methyl-1H-indole-3-carbaldehyde #
Q63392569
Z57197606
2-methylindole-3-carbaldehyde
NSC11895
NSC 11895
R0Y4EK4FX7
3-Formyl-2-methylindole
CS-W007520
2-Methyl-3-formylindole
FT-0613060
InChI=1/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H
SY018466
BIDD:GT0605
UNII-R0Y4EK4FX7
EN300-18130
5416-80-8
2-Methylindole-3-carboxaldehyde, 97%
FT-0659582
A15638
M1485
BCP27593

MDL Number

MFCD00012077

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8)?

2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8) is a white to off-white crystalline solid with a molecular weight of approximately 158.18 g/mol. It has limited solubility in water but is more soluble in organic solvents such as ethanol and benzene. The compound is moderately reactive, particularly towards nucleophiles and bases. It is an important intermediate in the synthesis of various bioactive compounds and is known for its characteristic indole aroma.

How is 2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8) typically synthesized?

2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8) is typically synthesized via the alkylation of indole with methyl iodide followed by oxidation of the resulting indole-3-methyl alcohol. This process often involves the use of an oxidizing agent like sodium hypochlorite or potassium permanganate. The synthesis requires precise control of reaction conditions to achieve high yields and selectivity.

What industries use 2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8)?

2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8) is primarily used in the pharmaceutical industry as a key intermediate in the synthesis of various bioactive compounds. It also finds applications in the polymer and sensor industries due to its structural characteristics, which make it useful in developing new materials and sensing technologies.

What precautions should be taken when handling 2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8)?

When handling 2-Methyl-1H-indole-3-carbaldehyde (CAS: 5416-80-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to the compound. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the safety data sheet (SDS) for specific handling and disposal instructions to ensure laboratory safety.