1H-Indole-5-carbonitrile

Basic Information

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CAS Number

15861-24-2

Molecular Formula

C9H6N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

105.0 to 108.0 deg-C

Boiling Point

350°C at 760 mmHg

Water Solubility

Soluble in chloroform, hexane and methanol. Insoluble in water.

Flash Point

121.9℃

Refractive Index

1.6211 (estimate)

SMILES

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C1=CC2=C(C=CN2)C=C1C#N

InChI

InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H

InChIKey

YHYLDEVWYOFIJK-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

191

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 6.1 Class 6.1

Sensitiveness

Air & Light Sensitive

Synonyms & References

English

NCGC00340972-01
EINECS 239-986-4
FT-0627224
BDBM50220678
5-cyano-indole
CG-0514
C-8840
indol-5-carbonitrile
SCHEMBL91366
Indole-5-carbonitrile, 99%
AM20060210
F2158-0363
NS00025158
Z1203730728
MFCD00005669
15861-24-2
PB25883
1H-Indole-5-carbonitrile
SB20070
DTXSID40166477
BCP26499
FT-0627223
SY006206
EN300-97267
CHEMBL294926
5-Cyano-1H-indole
INDOLE-5-CARBONITRILE
CS-M1444
240812-99-1
HY-77057
InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

MDL Number

MFCD00005669

Customs Code

2933990090

FAQ

What is 1H-Indole-5-carbonitrile (CAS: 15861-24-2)?

1H-Indole-5-carbonitrile is a heterocyclic organic compound with the chemical formula C8H7N. It is characterized by a five-membered indole ring fused to a benzene ring, with a cyano group (-CN) attached at the 5-position. This molecule is known for its aromaticity and potential applications in various scientific fields.

What are the main uses of 1H-Indole-5-carbonitrile (CAS: 15861-24-2)?

1H-Indole-5-carbonitrile is primarily used in pharmaceutical research as a building block for the synthesis of bioactive compounds. It also finds applications in organic chemistry for the development of new materials and in the study of chemical reactivity. Its unique structure makes it valuable in drug discovery and development processes.

Is 1H-Indole-5-carbonitrile (CAS: 15861-24-2) safe?

1H-Indole-5-carbonitrile is generally considered safe when handled properly, but it should be treated with caution due to potential toxicity. It is advisable to use protective equipment such as gloves and goggles, and to ensure proper ventilation. Safety standards should follow guidelines for handling hazardous chemicals in laboratory settings.

How should 1H-Indole-5-carbonitrile (CAS: 15861-24-2) be stored?

1H-Indole-5-carbonitrile should be stored in a cool, dry, and well-ventilated area, away from light. It is recommended to keep it in a sealed container made of glass or high-density polyethylene (HDPE) to prevent degradation. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and safety.