5-Nitro-1H-indole-3-carbonitrile

Basic Information

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CAS Number

7147-14-0

Molecular Formula

C9H5N3O2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Boiling Point

452.9°C at 760 mmHg

SMILES

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C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C#N

InChI

InChI=1S/C9H5N3O2/c10-4-6-5-11-9-2-1-7(12(13)14)3-8(6)9/h1-3,5,11H

InChIKey

AKLPDARNWZLNPV-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

290

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AKLPDARNWZLNPV-UHFFFAOYSA-N
AM20041068
FT-0692793
AKOS006278518
3-Cyano-5-nitroindole
7147-14-0
DS-2430
5-nitro-1H-indol-3-carbonitrile
NSC62402
SY034358
5-Nitroindole-3-carbonitrile
CS-0043006
5-nitro-1H-indole-3-kohlenitrile
NSC-62402
5-nitro-1H-indole-3-carbonitrile
MFCD02090219
DTXSID20289618
1H-Indole-3-carbonitrile,5-nitro-
SCHEMBL3301497
5-Nitro-1H-indole-3-carbonitrile
3-CYANO-5-NITROINDOLE
ZB003781
ST2418836
AB0026390
W8042
MFC

MDL Number

MFCD02090219

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0)?

5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous chemical due to its potential for skin and eye irritation. It is subject to regulations under the REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union, requiring suppliers to register the substance if it is manufactured or imported in quantities greater than 1 ton per year. Additionally, the FDA and EPA have specific requirements for the handling and disposal of this compound due to its potential environmental and health impacts.

Are there alternatives to 5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0) in synthesis?

Alternative reagents to 5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0) in synthesis include 1H-indole-3-carbonitrile and its derivatives. These alternatives can be used to avoid the use of 5-nitro substituent, which may be toxic or difficult to handle. Other strategies include the use of protected indoles or the incorporation of functional groups through sequential reactions to achieve the desired structure.

What is the market or research trend for 5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0)?

The market for 5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0) is primarily driven by its use in medicinal chemistry and drug discovery. Recent research trends focus on the synthesis and application of this compound in treating diseases such as cancer and neurodegenerative disorders. The demand is expected to grow due to its unique biological properties. However, there is also a growing emphasis on developing more environmentally friendly alternatives to reduce the environmental impact of its production and use.

How should waste containing 5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0) be handled?

Waste containing 5-Nitro-1H-indole-3-carbonitrile (CAS: 7147-14-0) should be collected in appropriate containers and stored separately. Proper incineration or professional waste disposal services should be used to ensure safe disposal. Environmental protection precautions include ensuring that no waste is released into the environment and that all handling procedures comply with local and international regulations. It is crucial to minimize the environmental impact and ensure the safety of workers and the public during waste management.