3-cloro-6-metilpiridazina - ≥98% , CAS No.1121-79-5

CAS: 1121-79-5 Cat. No.: C122392 Peso molecular: 128.56 Beilstein Registry Number: 108655 Número EC: 627-952-5

GRADE & PURITY ≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Aplicación：

la 3-cloro-6-metilpiridazina puede someterse a una reacción de acoplamiento cruzado catalizada por níquel con haluros aromáticos y heteroaromáticos, para dar las correspondientes piridazinas arílicas y heteroarílicas sustituidas.También puede utilizarse en la síntesis de un inhibidor de la quinasa p38MAP con potencial terapéutico en el tratamiento de enfermedades autoinmunes e inflamatorias.

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188777
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188777
• Sonrisas canónicas: CC1=NN=C(C=C1)Cl
• IUPAC Name: 3-chloro-6-methylpyridazine
• InChIKey: PRORLQAJNJMGAR-UHFFFAOYSA-N
• INCHI: 1S/C5H5ClN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
• Isómeros SMILES: CC1=NN=C(C=C1)Cl
• WGK Alemania: 3
• Peso molecular: 128.56
• Beilstein: 108655
• Reaxy-Rn: 108655
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108655&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 58-62°C
• Peso molecular: 128.560 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.014 Da
• Monoisotopic Mass: 128.014 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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