All Photos(1)
Synonym(s):
5-Cyanoindole
Empirical Formula (Hill Notation):
C9H6N2
CAS Number:
Molecular Weight:
142.16
Beilstein:
116738
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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
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Related Categories
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
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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
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