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

CAS: 15861-24-2 Cat. No.: C101133 Formule: C₉H₆N₂ Poids moléculaire: 142.16 Beilstein Registry Number: 116738 Numéro CE: 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

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Vue d’ensemble

Réactif pour la synthèse parallèle de dihydroisoquinolines via une réaction de couplage à trois composants co-catalysée par l'argent et la L-proline ? Réactif pour la préparation chimiosélective et régiosélective de benzoyl-indoles ? Réactif pour la préparation de nouveaux agonistes doubles PPARα/γ pour le traitement potentiel du syndrome métabolique et de la DID ? Réactif pour la préparation de 4,5-dihydrocyclopenta[c]quinolines par réaction d'expansion de cycle catalysée par le palladium sur des alcynes, en utilisant O2 comme oxydant ? Réactif pour la préparation de vinylindoles par hydroarylation d'alcynes à l'aide d'un catalyseur au bromure d'indium ? Réactif pour l'alcynylation directe catalysée par l'or utilisant un réactif iodé hypervalent à base de benziodoxolone ?

Specifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488183049
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183049
• Sourires canoniques: 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
• Isomères SMILES: C1=CC2=C(C=CN2)C=C1C#N
• WGK Allemagne: 3
• RTECS: NL5993120
• Numéro ONU: 3439
• Poids moléculaire: 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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in chloroform, hexane and methanol. Insoluble in water.
• Sensibilité: Air & Light Sensitive
• Point de fusion (°C): 106-108°C
• Poids moléculaire: 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

Foire aux questions

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.