2,7-Dichloro-4-methylquinoline - Reagent grade , CAS No.59666-16-9

CAS: 59666-16-9 Cat. No.: D479225 Formula: C₁₀H₇Cl₂N Peso molecolare: 212.08 Numero EC: 261-847-1

QUALITÀ & PUREZZA Reagent Grade

Synonyms

EINECS 261-847-1 | MFCD01540827 | FTONSAARTKYOAV-UHFFFAOYSA-N | 2,7-Dichloro-4-methylquinoline | Quinoline, 2,7-dichloro-4-methyl- | 2,7-Dichloro-4-methylquinoline, AldrichCPR | AKOS000600114 | BP-11246 | DTXSID4069347 | SCHEMBL8936155

Storage

Room temperature

Specifiche

Sinonimi

EINECS 261-847-1 | MFCD01540827 | FTONSAARTKYOAV-UHFFFAOYSA-N | 2,7-Dichloro-4-methylquinoline | Quinoline, 2,7-dichloro-4-methyl- | 2,7-Dichloro-4-methylquinoline, AldrichCPR | AKOS000600114 | BP-11246 | DTXSID4069347 | SCHEMBL8936155

Specifiche e purezza

Reagent grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Reagent Grade

Nomi e identificatori

Sorrisi canonici

CC1=CC(=NC2=C1C=CC(=C2)Cl)Cl

IUPAC Name

2,7-dichloro-4-methylquinoline

InChIKey

FTONSAARTKYOAV-UHFFFAOYSA-N

INCHI

1S/C10H7Cl2N/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3

Isomeri SMILES

CC1=CC(=NC2=C1C=CC(=C2)Cl)Cl

Peso molecolare

212.08

Reaxy-Rn

133589

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133589&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: Methylpyridines 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Methylpyridine - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 212.070 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 210.996 Da
• Monoisotopic Mass: 210.996 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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