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C92006

Indole-5-carbonitrile

Name: Indole-5-carbonitrile
Brand: ALDRICH

99%

Synonym(s):

5-Cyanoindole

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About This Item

Empirical Formula (Hill Notation):

C₉H₆N₂

CAS Number:

15861-24-2

Molecular Weight:

142.16

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24893140

EC Number:

239-986-4

Beilstein/REAXYS Number:

116738

MDL number:

MFCD00005669

Assay:

99%

Form:

powder

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Properties

Quality Level

100

assay

99%

form

powder

mp

106-108 °C (lit.)

SMILES string

N#Cc1ccc2[nH]ccc2c1

InChI

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

InChI key

YHYLDEVWYOFIJK-UHFFFAOYSA-N

Description

Application

Reactant for parallel synthesis of dihydroisoquinolines via silver and L-proline co-catalyzed three-component coupling reaction
Reactant for chemoselective and regioselective preparation of benzoyl indoles
Reactant for preparation of novel PPARα/γ dual agonists for potential treatment of metabolic syndrome and IDDM
Reactant for preparation of 4,5-dihydrocyclopenta[c]quinolines by palladium-catalyzed ring-expansion reaction alkynes, using O2 as the oxidant
Reactant for preparation of vinylindoles by hydroarylation of alkynes using indium bromide catalyst
Reactant for gold catalyzed direct alkynylation using a benziodoxolone based hypervalent iodine reagent

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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On the Additivity of Molecular Fragment Dipole Moments of 5-Substituted Indole Derivatives.

Josefin Wilke et al.

Chemphyschem : a European journal of chemical physics and physical chemistry, 17(17), 2736-2743 (2016-06-02)

The estimate of the magnitude and the orientation of molecular electric dipole moments from the vector sum of bond or fragment dipole moments is a widely used approach in chemistry. However, the limitations of this intuitive model have rarely been

Global Trade Item Number

SKU	GTIN
C92006-10G	04061832843339
C92006-5G	04061832843346