Dimethyl 1H-indole-2,3-dicarboxylate

Basic Information

View in Editor

CAS Number

54781-93-0

Molecular Formula

C12H11NO4

Molecular Weight

233.22 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

113-114 °C

Boiling Point

375.46°C (rough estimate)

Density

1.2697 (rough estimate)

Flash Point

175.5°C

Refractive Index

1.5560 (estimate)

SMILES

View in Editor

COC(=O)C1=C(NC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C12H11NO4/c1-16-11(14)9-7-5-3-4-6-8(7)13-10(9)12(15)17-2/h3-6,13H,1-2H3

InChIKey

JNRXSMOJWKDVHC-UHFFFAOYSA-N

LogP

1.7410999999999999

Topological Polar Surface Area

68.39000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

318

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

SCHEMBL3275502
MFCD00082731
D-1850
2,3-dicarbomethoxyindole
Dimethyl 2,3-indoledicarboxylate
1H-indole-2,3-dicarboxylic acid dimethyl ester
SDCCGMLS-0066201.P001
AKOS015898309
54781-93-0
FT-0609499
CS-W010344
Dimethyl 1H-indole-2,3-dicarboxylate
Dimethyl 1H-indole-2,3-dicarboxylate #
Indole-2,3-dicarboxylic acid, dimethyl(ester)
CCG-248588
DIMETHYLINDOLE-2,3-DICARBOXYLATE
Dimethyl indole-2,3-dicarboxylate
C75571
DTXSID40203255
HMS559B19
Oprea1_099063
Dimethyl 2,3-indoledicarboxylate, 98%
Maybridge1_006201
DS-17351
1H-indole-2,3-dicarboxylic acid
1H-Indole-2,3-dicarboxylicacid, 2,3-dimethyl ester
Dimethyl Indole-2,5-Dicarboxylate
JNRXSMOJWKDVHC-UHFFFAOYSA-N
methyl 2-(methoxycarbonyl)indole-3-carboxylate
1H-Indole-2,3-dicarboxylic acid, 2,3-dimethyl ester
HMS559B

MDL Number

MFCD00082731

FAQ

What is Dimethyl 1H-indole-2,3-dicarboxylate (CAS: 54781-93-0)?

Dimethyl 1H-indole-2,3-dicarboxylate is an organic compound with the CAS number 54781-93-0. It is a dicarboxylic acid derivative of indole, characterized by its aromatic structure with two carboxylic acid groups attached to the indole ring. It is used in pharmaceuticals and as a research reagent.

What are the main uses of Dimethyl 1H-indole-2,3-dicarboxylate (CAS: 54781-93-0)?

Dimethyl 1H-indole-2,3-dicarboxylate is primarily used in pharmaceutical research and development as a precursor for synthesizing other compounds. It also serves as a valuable research reagent in organic chemistry studies.

Is Dimethyl 1H-indole-2,3-dicarboxylate (CAS: 54781-93-0) safe?

Dimethyl 1H-indole-2,3-dicarboxylate is generally safe when handled properly. It is non-toxic and non-flammable. However, it should be used with caution to avoid skin contact and inhalation. Always follow safety guidelines and use appropriate personal protective equipment.

How should Dimethyl 1H-indole-2,3-dicarboxylate (CAS: 54781-93-0) be stored?

Dimethyl 1H-indole-2,3-dicarboxylate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Store it at room temperature or below 25°C (77°F) to maintain its stability.