Ethyl 7-nitro-1H-indole-2-carboxylate

Basic Information

View in Editor

CAS Number

6960-46-9

Molecular Formula

C11H10N2O4

Molecular Weight

234.21 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

90-96 ºC

Boiling Point

376.52°C (rough estimate)

Density

1.3240 (rough estimate)

Refractive Index

1.5300 (estimate)

SMILES

View in Editor

CCOC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O4/c1-2-17-11(14)8-6-7-4-3-5-9(13(15)16)10(7)12-8/h3-6,12H,2H2,1H3

InChIKey

GTZAIVBXGPLYGD-UHFFFAOYSA-N

LogP

2.77600

Complexity

315

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

SY062659
SCHEMBL1016404
Ethyl 7-nitro-1H-indole-2-carboxylate #
NSC-69878
AKOS005135916
PS-3452
DTXSID30290598
A836560
6960-46-9
1h-indole-2-carboxylic acid, 7-nitro-, ethyl ester
AM10039
CS-0041751
7-nitroindole-2-carboxylic acid ethyl ester
N-3305
SR-01000512230-1
SR-01000512230
NSC69878
Ethyl-7-nitro-1H-indole-2-carboxylate
Indole-2-carboxylic acid, 7-nitro-, ethyl ester
NSC 69878
7-Chloro-3-ethyl-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
Ethyl 7-nitro-1H-indole-2-carboxylate
Oprea1_376503
CCG-236914
FT-0636316
ethyl 7-nitroindole-2-carboxylate
MFCD00216475
1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester
7-Nitroindole-2-carboxylic acid ethyl ester
Ethyl 7-nitroindole-2-carboxylate
Indole-2-carboxylicacid, 7-nitro-, ethyl ester (6CI,8CI)

MDL Number

MFCD00216475

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9)?

Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9) is a crystalline solid with a molecular weight of approximately 263.15 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound is known for its moderate reactivity, particularly in nucleophilic substitution and elimination reactions. It has a high melting point and is stable under normal laboratory conditions.

How is Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9) typically synthesized?

Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9) is typically synthesized via a condensation reaction between 7-nitro-1H-indole and ethyl chloroacetate in the presence of a base such as triethylamine. The reaction yields a high selectivity and good yield, making it a common method in organic synthesis.

What industries use Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9)?

Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9) is primarily used in the pharmaceutical industry for the synthesis of various indole-based drugs. It is also utilized in the development of sensors and semiconductors due to its unique chemical properties and the ease of functionalization.

What precautions should be taken when handling Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9)?

When handling Ethyl 7-nitro-1H-indole-2-carboxylate (CAS: 6960-46-9), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Handling should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate cleaning agents. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.