6-Iodoquinoline - ≥98%(GC) , CAS No.13327-31-6

CAS: 13327-31-6 Cat. No.: I157528 Summenformel: C₉H₆IN Molekulargewicht: 255.06 EG-Nummer: 663-773-9

GRADE & PURITY ≥98%(GC)

Synonyms

PS-7410 | AKOS005146263 | FT-0645784 | Quinoline, 6-iodo- | AM20070127 | A1-00823 | MFCD08457906 | J-518817 | A23334 | Z993990690 | SB71563 | BB 0262690 | SCHEMBL359732 | SY030914 | WKTASELJZCIVBR-UHFFFAOYSA-N | EN300-73850 | DTXSID20928030 | 6-Iodoquinol

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

PS-7410 | AKOS005146263 | FT-0645784 | Quinoline, 6-iodo- | AM20070127 | A1-00823 | MFCD08457906 | J-518817 | A23334 | Z993990690 | SB71563 | BB 0262690 | SCHEMBL359732 | SY030914 | WKTASELJZCIVBR-UHFFFAOYSA-N | EN300-73850 | DTXSID20928030 | 6-Iodoquinol

Spezifikationen & Reinheit

≥98%(GC)

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

≥98%(GC)

Namen und Kennungen

Pubchem Sid

508810199

Kanonisches Lächeln

C1=CC2=C(C=CC(=C2)I)N=C1

IUPAC Name

6-iodoquinoline

InChIKey

WKTASELJZCIVBR-UHFFFAOYSA-N

INCHI

1S/C9H6IN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

Isomere SMILES

C1=CC2=C(C=CC(=C2)I)N=C1

Molekulargewicht

255.06

Reaxy-Rn

112965

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112965&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

• Empfindlichkeit: heat sensitive；Air sensitive
• Schmelzpunkt (°C): 87.0-91.0°C
• Molekulargewicht: 255.050 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 254.954 Da
• Monoisotopic Mass: 254.954 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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