4-Chloro-8-methoxyquinoline - ≥97% , CAS No.16778-21-5

CAS: 16778-21-5 Cat. No.: C478740 Summenformel: C₁₀H₈ClNO Molekulargewicht: 193.63 EG-Nummer: 632-643-3

QUALITÄT & REINHEIT ≥97%

Synonyms

Quinoline, 4-chloro-8-methoxy- | STL353652 | 4-Chloro-8-methoxyquinoline | LCYDNBWXXPOMQL-UHFFFAOYSA-N | BBL027917 | EN300-67695 | FT-0618150 | AC-7289 | SY005498 | SCHEMBL2178344 | 4-Chloro-8-methoxyquinoline, AldrichCPR | MFCD00033679 | AB01541 | A18288

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

Quinoline, 4-chloro-8-methoxy- | STL353652 | 4-Chloro-8-methoxyquinoline | LCYDNBWXXPOMQL-UHFFFAOYSA-N | BBL027917 | EN300-67695 | FT-0618150 | AC-7289 | SY005498 | SCHEMBL2178344 | 4-Chloro-8-methoxyquinoline, AldrichCPR | MFCD00033679 | AB01541 | A18288

Spezifikationen & Reinheit

≥97%

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

≥97%

Namen und Kennungen

Pubchem Sid

488198041

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198041

Kanonisches Lächeln

COC1=CC=CC2=C(C=CN=C21)Cl

IUPAC Name

4-chloro-8-methoxyquinoline

InChIKey

LCYDNBWXXPOMQL-UHFFFAOYSA-N

INCHI

1S/C10H8ClNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3

Isomere SMILES

COC1=CC=CC2=C(C=CN=C21)Cl

Molekulargewicht

193.63

Reaxy-Rn

141431

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141431&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: Chloroquinolines
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 193.630 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 193.029 Da
• Monoisotopic Mass: 193.029 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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