1H-Indole-3-carbonitrile

Basic Information

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CAS Number

5457-28-3

Molecular Formula

C9H6N2

Molecular Weight

131.18 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

179-182 °C

Boiling Point

350°C at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

121.9 °C

Refractive Index

1.6211 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=CN2)C#N

InChI

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

InChIKey

CHIFTAQVXHNVRW-UHFFFAOYSA-N

LogP

2.4763200000000003

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

191

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

BDBM50127708
F3145-1028
AC-27780
AM20060455
3-Indolecarbonitrile
BS-3804
NSC 24935
NSC24935
BCP27281
1H-indole-3-kohlenitrile
1~{H}-indole-3-carbonitrile
SCHEMBL186741
DTXSID00282208
BB 0242412
3-cyano-1H-indole
3-Cyanoindole, 98%
1H-Indole-3-carbonitrile
SY027479
AKOS000266284
1H-Indole-3-carbonitrile #
5457-28-3
(1H)-indole-3-carbonitrile
Indole-3-carbonitrile
CHEMBL46724
Z57204989
NSC-24935
MFCD00022717
CS-W007588
98Z
SB14862
EN300-86125

MDL Number

MFCD00022717

Customs Code

2933990090

FAQ

What is 1H-Indole-3-carbonitrile (CAS: 5457-28-3)?

1H-Indole-3-carbonitrile is a heterocyclic organic compound with the chemical formula C9H7CN. It is a colorless solid with a slightly bitter taste and is used primarily in pharmaceuticals and industrial applications. It has a distinctive smell and is slightly hygroscopic.

What are the main uses of 1H-Indole-3-carbonitrile (CAS: 5457-28-3)?

1H-Indole-3-carbonitrile is primarily used in the synthesis of other organic compounds, particularly in pharmaceuticals. It is also used as a precursor in the production of dyes and other industrial chemicals. Additionally, it has applications in research for studying indole derivatives.

Is 1H-Indole-3-carbonitrile (CAS: 5457-28-3) safe?

1H-Indole-3-carbonitrile is generally safe when handled with appropriate precautions. It is not corrosive but can cause skin irritation. It is advisable to wear protective gloves and safety glasses when handling this compound. Inhalation and ingestion should be avoided, and it should be stored in a dry, well-ventilated area away from sources of ignition.

How should 1H-Indole-3-carbonitrile (CAS: 5457-28-3) be stored?

1H-Indole-3-carbonitrile should be stored in a cool, dry, and well-ventilated area away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C. It is important to ensure that the storage area has adequate fire protection measures.