Ethyl 5-cyano-1H-indole-2-carboxylate

Basic Information

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CAS Number

105191-13-7

Molecular Formula

C12H10N2O2

Molecular Weight

203.24 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 Nitriles

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

Boiling Point

419.3°C at 760 mmHg

Density

1.29

Flash Point

207.406 °C

Refractive Index

1.622

SMILES

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CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C#N

InChI

InChI=1S/C12H10N2O2/c1-2-16-12(15)11-6-9-5-8(7-13)3-4-10(9)14-11/h3-6,14H,2H2,1H3

InChIKey

VZSOXWAHGVEQOT-UHFFFAOYSA-N

LogP

2.6530200000000006

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

320

Safety Information

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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

Synonyms & References

English

5-Cyano-1H-indole-2carboxylic acid ethyl ester
AB01328156-02
105191-13-7
Oprea1_392951
C-8890
ethyl 5-cyano-1H-indole-2-carboxylate
AM20020148
A801160
AC-5211
Ethyl 5-cyanoindole-2-carboxylate
FS-3361
NCGC00335620-01
SY019812
5-Cyano-1H-indole-2-carboxylic acid ethyl ester
methyl 5-cyano-1H-indole-2-carboxylate;Ethyl 5-Cyanoindole-2-carboxylate
VZSOXWAHGVEQOT-UHFFFAOYSA-N
1H-Indole-2-carboxylic acid, 5-cyano-, ethyl ester
DTXSID80405796
SCHEMBL1420412
5-CYANOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
CS-W022704
FT-0689438
MFCD04966999
AKOS001476078
Ethyl 5-cyano-1H-indole-2-carboxylate
5-Cyanoindole-2-carboxylic acid ethyl ester
1H-Indole-2-carboxylicacid, 5-cyano-, ethyl ester
KSC503M4L
STK893225
BBL020536
AKO

MDL Number

MFCD04966999

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Ethyl 5-cyano-1H-indole-2-carboxylate (CAS: 105191-13-7)?

Ethyl 5-cyano-1H-indole-2-carboxylate (CAS: 105191-13-7) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous chemical. Regulatory guidelines include the European Union's REACH regulations, which require manufacturers and importers to register substances if they are manufactured or imported in quantities of 1 tonne or more per year. Additionally, the U.S. Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) have specific requirements for the handling and use of this compound in the context of pharmaceuticals and industrial applications.

Are there alternatives to Ethyl 5-cyano-1H-indole-2-carboxylate in synthesis (CAS: 105191-13-7)?

For the synthesis of Ethyl 5-cyano-1H-indole-2-carboxylate (CAS: 105191-13-7), researchers and chemists often explore alternatives such as using different starting materials or substituents. Common alternatives include 5-cyanoindole-2-carboxylic acid or related indole derivatives. These alternatives can provide similar functionalities but may require different synthetic routes or reagents.

What is the market or research trend for Ethyl 5-cyano-1H-indole-2-carboxylate (CAS: 105191-13-7)?

The market for Ethyl 5-cyano-1H-indole-2-carboxylate (CAS: 105191-13-7) shows increasing interest in its use as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Research trends highlight its application in developing novel bioactive compounds and in the modification of indole derivatives. Market trends indicate a steady demand due to its versatile use in various chemical transformations and its potential in drug discovery.

How should waste containing Ethyl 5-cyano-1H-indole-2-carboxylate (CAS: 105191-13-7) be handled?

Waste containing Ethyl 5-cyano-1H-indole-2-carboxylate (CAS: 105191-13-7) should be collected in appropriate containers and properly labeled. It should be disposed of through professional waste disposal services that handle hazardous chemicals. Incineration is a common method for disposal, provided it is conducted in an environmentally compliant manner. Environmental protection measures should include the prevention of wastewater contamination and the use of protective equipment during handling and disposal to ensure safety and compliance with regulatory standards.