Methyl 1H-indole-6-carboxylate

Basic Information

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CAS Number

50820-65-0

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

Melting Point

76-80 °C

Boiling Point

331.7°C at 760 mmHg

Density

1.253

Flash Point

154.4℃

Refractive Index

1.639

SMILES

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COC(=O)C1=CC2=C(C=C1)C=CN2

InChI

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

InChIKey

AYYOZKHMSABVRP-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

Sensitiveness

Sensitive to air

Synonyms & References

English

SCHEMBL145507
BDBM93021
methyl 1H-indole-6-carboxylate
methyl indole-6carboxylate
BCP26492
CS-W017455
A16067
methyl-indole-6-caroxylate
InChI=1/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H
FT-0628740
MFCD00211063
50820-65-0
Indole-6-carboxylic acid methyl ester
Q-102578
1H-indole-6-carboxylic acid methyl ester
methylindole-6-carboxylate
HY-W016739
EN300-184462
DTXSID80348674
I-2520
methyl 6-indolecarboxylate
M2042
AYYOZKHMSABVRP-UHFFFAOYSA-N
SY002751
Indole-7-carboxylate
CHEMBL4212523
methyl-6-indolecarboxylate
methyl-indole-6-carboxylate
6-methoxycarbonylindole
AC-1393
6-carbomethoxyindole

MDL Number

MFCD00211063

Customs Code

2933990090

FAQ

What is Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0)?

Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0) is an organic compound with the molecular formula C9H10NO2. It is an amide derivative of indole, commonly used in pharmaceutical and chemical research due to its structural and functional characteristics.

What are the main uses of Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0)?

Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0) is primarily used as a precursor in the synthesis of various indole derivatives and as a building block in organic synthesis. It finds applications in the pharmaceutical industry for the development of novel drugs and in chemical research for exploring the properties of indoles.

Is Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0) safe?

Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0) is generally considered safe for laboratory use when handled with appropriate precautions. However, it should be used in a well-ventilated area and gloves should be worn to prevent skin contact. It is not considered toxic, but proper handling and disposal should follow local safety regulations.

How should Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0) be stored?

Methyl 1H-indole-6-carboxylate (CAS: 50820-65-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It is stable at room temperature but should be kept in a tightly sealed container to prevent moisture absorption. The storage area should have good ventilation to avoid the risk of inhalation exposure.