2,4-Dichloro-8-methoxyquinoline - ≥98% , CAS No.32608-29-0

CAS: 32608-29-0 Cat. No.: D192740 Summenformel: C₁₀H₇Cl₂NO Molekulargewicht: 228.08 EG-Nummer: 848-645-4

QUALITÄT & REINHEIT ≥98%

Synonyms

SCHEMBL1564603 | EN300-645225 | DTXSID80651211 | MFCD07644554 | A875568 | Quinoline,2,4-dichloro-8-methoxy- | SB71916 | DS-5068 | FT-0759017 | 2,4-DICHLORO-8-METHOXYQUINOLINE | AKOS016013150

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

SCHEMBL1564603 | EN300-645225 | DTXSID80651211 | MFCD07644554 | A875568 | Quinoline,2,4-dichloro-8-methoxy- | SB71916 | DS-5068 | FT-0759017 | 2,4-DICHLORO-8-METHOXYQUINOLINE | AKOS016013150

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

COC1=CC=CC2=C1N=C(C=C2Cl)Cl

IUPAC Name

2,4-dichloro-8-methoxyquinoline

InChIKey

YQPQBGCONUUZNN-UHFFFAOYSA-N

INCHI

1S/C10H7Cl2NO/c1-14-8-4-2-3-6-7(11)5-9(12)13-10(6)8/h2-5H,1H3

Isomere SMILES

COC1=CC=CC2=C1N=C(C=C2Cl)Cl

Molekulargewicht

228.08

Reaxy-Rn

159651

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=159651&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: Polyhalopyridines Anisoles Alkyl aryl ethers 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - Polyhalopyridine - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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: 228.070 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.99 Da
• Monoisotopic Mass: 226.99 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 203.000
• 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