6-Bromo-4-chloro-2-methylquinoline - ≥97% , CAS No.53364-85-5

CAS: 53364-85-5 Cat. No.: B170844 Peso molecular: 256.53 Número EC: 803-819-9

GRADE & PURITY ≥97%

Synonyms

DTXSID30355055 | OCNREXWJWVKEEB-UHFFFAOYSA-N | AKOS002683332 | 6-Bromo-4-chloroquinaldine | MFCD00272373 | FT-0620987 | AB05644 | PS-7399 | SCHEMBL4966407 | SY104187 | 6-Bromo-4-chloro-2-methylquinoline, AldrichCPR | AMY18058 | O11547 | EN300-3222110 | AF

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30355055 | OCNREXWJWVKEEB-UHFFFAOYSA-N | AKOS002683332 | 6-Bromo-4-chloroquinaldine | MFCD00272373 | FT-0620987 | AB05644 | PS-7399 | SCHEMBL4966407 | SY104187 | 6-Bromo-4-chloro-2-methylquinoline, AldrichCPR | AMY18058 | O11547 | EN300-3222110 | AF

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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: 504760160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760160
• Sonrisas canónicas: CC1=CC(=C2C=C(C=CC2=N1)Br)Cl
• IUPAC Name: 6-bromo-4-chloro-2-methylquinoline
• InChIKey: OCNREXWJWVKEEB-UHFFFAOYSA-N
• INCHI: 1S/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
• Isómeros SMILES: CC1=CC(=C2C=C(C=CC2=N1)Br)Cl
• WGK Alemania: 3
• Peso molecular: 256.53
• Reaxy-Rn: 133342
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133342&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: Methylpyridines Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Methylpyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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

• Peso molecular: 256.519 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 254.945 Da
• Monoisotopic Mass: 254.945 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 188.000
• 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