5-Cyanoindole - ≥99% , CAS No.15861-24-2

CAS: 15861-24-2 Cat. No.: C101133 Summenformel: C₉H₆N₂ Molekulargewicht: 142.16 Beilstein Registry Number: 116738 EG-Nummer: 239-986-4

GRADE & PURITY ≥99%

Synonyms

HY-77057 | InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11 | 5-Cyano indole | SY006206 | FT-0627224 | AB01331743-02 | AKOS005206715 | BP-10151 | 1H-Indole-5-carbonitrile | SB20070 | 5-Indolecarbonitrile | A3327A31-2A0C-4860-8157-F2773DE25B9E | EN300-9

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

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

Specifications

Synonyme

HY-77057 | InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11 | 5-Cyano indole | SY006206 | FT-0627224 | AB01331743-02 | AKOS005206715 | BP-10151 | 1H-Indole-5-carbonitrile | SB20070 | 5-Indolecarbonitrile | A3327A31-2A0C-4860-8157-F2773DE25B9E | EN300-9

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 488183049
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183049
• Kanonisches Lächeln: C1=CC2=C(C=CN2)C=C1C#N
• IUPAC Name: 1H-indole-5-carbonitrile
• InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N
• INCHI: 1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
• Isomere SMILES: C1=CC2=C(C=CN2)C=C1C#N
• WGK Deutschland: 3
• RTECS: NL5993120
• UN-Nummer: 3439
• Molekulargewicht: 142.16
• Beilstein: 116738
• Reaxy-Rn: 116738
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116738&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform, hexane and methanol. Insoluble in water.
• Empfindlichkeit: Air & Light Sensitive
• Schmelzpunkt (°C): 106-108°C
• Molekulargewicht: 142.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.053 Da
• Monoisotopic Mass: 142.053 Da
• Topological Polar Surface Area: 39.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15861-24-2, the molecular formula is C9H6N2, and the molecular weight is 142.16 g/mol. InChIKey YHYLDEVWYOFIJK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.