Methyl indole-3-carboxylate

Basic Information

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CAS Number

942-24-5

Molecular Formula

C10H9NO2

Molecular Weight

175.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

148.0 to 152.0 deg-C

Boiling Point

306.47°C (rough estimate)

Density

1.1999 (rough estimate)

Water Solubility

Slightly soluble methanol and dimethyl sulfoxide. Insoluble in water.

Flash Point

154.4oC

Refractive Index

1.5060 (estimate)

SMILES

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COC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3

InChIKey

QXAUTQFAWKKNLM-UHFFFAOYSA-N

LogP

1.9545

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

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

Methyl indole-3-carboxylate
methyl 1H-indole-3-carboxylate
Methyl 3-indolecarboxylate
3-Methoxycarbonylindole
3-Carbomethoxyindole
Methyl indolyl-3-carboxylate
Indole-3-carboxylic Acid Methyl Ester
[ "" ]
1H-Indole-3-carboxylic acid, methyl ester
1H-Indole-3-carboxylic acid methyl ester
Indole-3-carboxylic acid, methyl ester
QXAUTQFAWKKNLM-UHFFFAOYSA-N
3-carbomethoxy indole
PubChem7506
methylindole-3-carboxylate
methyl indole 3-carboxylate
3-methoxycarbonyl-1H-indole
KSC490C1F
Indole-3-carboxylic acid, methyl ester (6CI, 7CI, 8CI)
Methyl 1H-indole-3-carboxylate
HY-79635
I-2505
Q27133581
Indole-3-carboxylic Acid, Methyl Ester; 3-Methoxycarbonylindole; Methyl 1H-indole-3-carboxylate; Methyl Indole-3-carboxylate; Methyl Indolyl-3-carboxylate
3-carbomethoxyindole
BCP00917
942-24-5
DA-75467
I0491
3-methoxycarbonylindole
Z57164966

MDL Number

MFCD00189407

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Methyl indole-3-carboxylate (CAS: 942-24-5)?

Methyl indole-3-carboxylate (CAS: 942-24-5) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazardous chemicals. It must comply with REACH regulations in the European Union, which require registration of substances and notification of potential hazards. Additionally, the FDA and EPA have specific requirements for the handling and disposal of this compound in the USA. It is recommended to consult the material safety data sheet (MSDS) for detailed regulatory information.

Are there alternatives to Methyl indole-3-carboxylate (CAS: 942-24-5) in synthesis?

There are several alternatives to Methyl indole-3-carboxylate (CAS: 942-24-5) in synthesis, including other indole derivatives like methyl indole-2-carboxylate. Common reagents used as substitutes include methyl anilide and methyl benzylamine. These alternatives can offer similar functionalities but with varying reactivity and synthetic conditions.

What is the market or research trend for Methyl indole-3-carboxylate (CAS: 942-24-5)?

The market for Methyl indole-3-carboxylate (CAS: 942-24-5) shows steady growth due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as a precursor for indole derivatives and its role in drug development. Price trends indicate a stable market, but fluctuations may occur based on supply and demand dynamics. Emerging research is exploring its potential in natural product synthesis and as an intermediate in chemical processes.

How should waste containing Methyl indole-3-carboxylate (CAS: 942-24-5) be handled?

Waste containing Methyl indole-3-carboxylate (CAS: 942-24-5) should be collected in appropriate containers and handled with care to prevent spills. It is best to incinerate the waste at a professional facility or dispose of it through a licensed hazardous waste disposal service. Environmental protection measures include proper labeling and documentation of waste disposal, as well as adherence to local and international environmental regulations to minimize environmental impact.