4-Chloro-8-methoxy-2-methylquinoline - ≥97% , CAS No.64951-58-2

CAS: 64951-58-2 Cat. No.: C469498 Peso molecular: 207.65 Número EC: 676-787-5

GRADE & PURITY ≥97%

Synonyms

4-Chloro-8-methoxyquinaldine | CBMicro_008398 | 4-chloro-2-methyl-8-methoxyquinoline | AS-75673 | SB71462 | A8843 | Z445213520 | AC-37179 | 4-Chloro-8-methoxy-2-methylquinoline, 97% | 4-Chloro-8-methoxy-2-methylquinoline, AldrichCPR | BP-11147 | MFCD00272

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-Chloro-8-methoxyquinaldine | CBMicro_008398 | 4-chloro-2-methyl-8-methoxyquinoline | AS-75673 | SB71462 | A8843 | Z445213520 | AC-37179 | 4-Chloro-8-methoxy-2-methylquinoline, 97% | 4-Chloro-8-methoxy-2-methylquinoline, AldrichCPR | BP-11147 | MFCD00272

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191493
• Sonrisas canónicas: CC1=CC(=C2C=CC=C(C2=N1)OC)Cl
• IUPAC Name: 4-chloro-8-methoxy-2-methylquinoline
• InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
• INCHI: 1S/C11H10ClNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
• Isómeros SMILES: CC1=CC(=C2C=CC=C(C2=N1)OC)Cl
• Peso molecular: 207.65
• Reaxy-Rn: 146901
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146901&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Anisoles Methylpyridines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - Alkyl aryl ether - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: moisture sensitive
• Punto de fusión (°C): 80-93℃
• Peso molecular: 207.650 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.045 Da
• Monoisotopic Mass: 207.045 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 200.000
• 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