7-Cyanoindole - ≥98% , CAS No.96631-87-7

CAS: 96631-87-7 Cat. No.: C188900 Summenformel: C₉H₆N₂ Molekulargewicht: 142.2 EG-Nummer: 689-988-8

GRADE & PURITY ≥98%

Synonyms

AKOS005255107 | BBL102638 | indole-7-nitrile | 7-Cyano-1H-indole | MFCD00800653 | STL556441 | BCP27589 | 1H-indole-7-carbonitrile | 7-Cyanoindole | NTUHBYLZRBVHRS-UHFFFAOYSA-N | SCHEMBL1420318 | 7-cyanoindole, AldrichCPR | AC-22689 | AS-11396

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AKOS005255107 | BBL102638 | indole-7-nitrile | 7-Cyano-1H-indole | MFCD00800653 | STL556441 | BCP27589 | 1H-indole-7-carbonitrile | 7-Cyanoindole | NTUHBYLZRBVHRS-UHFFFAOYSA-N | SCHEMBL1420318 | 7-cyanoindole, AldrichCPR | AC-22689 | AS-11396

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508810230

Kanonisches Lächeln

C1=CC2=C(C(=C1)C#N)NC=C2

IUPAC Name

1H-indole-7-carbonitrile

InChIKey

NTUHBYLZRBVHRS-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC2=C(C(=C1)C#N)NC=C2

Molekulargewicht

142.2

Reaxy-Rn

120716

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120716&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 Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 142.160 g/mol
• XLogP3: 2.500
• 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