4-Chloro-6-iodoquinoline - ≥97% , CAS No.40107-07-1

CAS: 40107-07-1 Cat. No.: C193232 Formule: C₉H₅ClIN Poids moléculaire: 289.5 Numéro CE: 866-262-0

GRADE & PURITY ≥97%

Synonyms

FT-0646188 | A6701 | SB71524 | DTXSID20457719 | 4-Chloro-6-iodoquinoline | 4-chloro-6-iodo-quinoline | METHYLA-AMINOCHLOROPHENYLACETATE | Quinoline, 4-chloro-6-iodo- | SCHEMBL599869 | 6-iodo-4-chloroquinoline | EN300-67729 | DS-11998 | XPXHGYKMODLJBY-UHFF

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

FT-0646188 | A6701 | SB71524 | DTXSID20457719 | 4-Chloro-6-iodoquinoline | 4-chloro-6-iodo-quinoline | METHYLA-AMINOCHLOROPHENYLACETATE | Quinoline, 4-chloro-6-iodo- | SCHEMBL599869 | 6-iodo-4-chloroquinoline | EN300-67729 | DS-11998 | XPXHGYKMODLJBY-UHFF

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1=CC2=NC=CC(=C2C=C1I)Cl
• IUPAC Name: 4-chloro-6-iodoquinoline
• InChIKey: XPXHGYKMODLJBY-UHFFFAOYSA-N
• INCHI: 1S/C9H5ClIN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
• Isomères SMILES: C1=CC2=NC=CC(=C2C=C1I)Cl
• Poids moléculaire: 289.5
• Reaxy-Rn: 387949
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387949&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Aryl chloride - Aryl halide - Aryl iodide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 289.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 288.916 Da
• Monoisotopic Mass: 288.916 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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