Indoline-4-carbonitrile

Basic Information

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CAS Number

885278-80-8

Molecular Formula

C9H9ClN2

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

SMILES

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C1CNC2=CC=CC(=C21)C#N

InChI

InChI=1S/C9H8N2.ClH/c10-6-7-2-1-3-9-8(7)4-5-11-9;/h1-3,11H,4-5H2;1H

InChIKey

SGCCKDORHOEOIH-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

191

Synonyms & References

English

Indoline-4-carbonitrile hydrochloride
1H-Indole-4-carbonitrile,2,3-dihydro-
2,3-DIHYDRO-1H-INDOLE-4-CARBONITRILE HYDROCHLORIDE
2,3-DIHYDRO-1H-INDOLE-4-CARBONITRILE,
4-Cyano-2,3-dihydro-1H-indole
1H-Indole-4-carbonitrile,2,3-dihydro
indoline-4-carbonitrile
2,3-dihydro-1H-indole-4-carbonitrile
2,3-Dihydro-1H-indole-4-carbonitrile (ACI)
Indoline-4-carbonitrile
QRRLRJLHVTVIEF-UHFFFAOYSA-N
AS-43416
2,3-Dihydro-1H-indole-4-carbonitrile
AKOS006285576
SB39528
CS-0019352
Z1198172381
EN300-256123
4-CYANO-2,3-DIHYDRO-1H-INDOLE
MFCD07371632
SCHEMBL326944
885278-80-8
DB-077775

MDL Number

MFCD07371632

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Indoline-4-carbonitrile (CAS: 885278-80-8)?

Indoline-4-carbonitrile (CAS: 885278-80-8) is a colorless crystalline solid with a molecular weight of approximately 164.14 g/mol. It is sparingly soluble in water but soluble in organic solvents like methanol and ethanol. Indoline-4-carbonitrile exhibits moderate reactivity, particularly towards nucleophilic substitution and electrophilic addition reactions.

How is Indoline-4-carbonitrile (CAS: 885278-80-8) typically synthesized?

Indoline-4-carbonitrile can be synthesized via the reaction of indoline-4-carbonitrile with a strong base, such as potassium tert-butoxide, in an organic solvent like THF or DCM. The reaction is typically carried out at room temperature with good selectivity and yield.

What industries use Indoline-4-carbonitrile (CAS: 885278-80-8)?

Indoline-4-carbonitrile (CAS: 885278-80-8) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds and intermediates. It also finds applications in the polymer industry as a precursor for the production of certain polymers. Additionally, it is used in the development of sensors and semiconductors.

What precautions should be taken when handling Indoline-4-carbonitrile (CAS: 885278-80-8)?

When handling Indoline-4-carbonitrile (CAS: 885278-80-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from direct sunlight and incompatible materials. In case of spillage, handle it according to the Safety Data Sheet (SDS) guidelines, and dispose of it safely in accordance with local regulations.