2-Chloro-5-methylpyrimidine - ≥98%(GC) , CAS No.22536-61-4

CAS: 22536-61-4 Cat. No.: C153537 Peso molecular: 128.56 Número EC: 807-915-1

GRADE & PURITY ≥98%(GC)

Synonyms

AM20090222 | PYRIMIDINE, 2-CHLORO-5-METHYL- | 2-Chloro-5-methylpyrimidine | 2-chloro-5-methyl-pyrimidine | W-201940 | A4827 | AC-248 | 2-Chloro-5-methylpyrimidine, AldrichCPR | BCP26399 | MFCD09260903 | FT-0649615 | C2957 | SCHEMBL422499 | BBL101190 | STL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AM20090222 | PYRIMIDINE, 2-CHLORO-5-METHYL- | 2-Chloro-5-methylpyrimidine | 2-chloro-5-methyl-pyrimidine | W-201940 | A4827 | AC-248 | 2-Chloro-5-methylpyrimidine, AldrichCPR | BCP26399 | MFCD09260903 | FT-0649615 | C2957 | SCHEMBL422499 | BBL101190 | STL

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488190431
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190431
• Sonrisas canónicas: CC1=CN=C(N=C1)Cl
• IUPAC Name: 2-chloro-5-methylpyrimidine
• InChIKey: APRMCBSTMFKLEI-UHFFFAOYSA-N
• INCHI: 1S/C5H5ClN2/c1-4-2-7-5(6)8-3-4/h2-3H,1H3
• Isómeros SMILES: CC1=CN=C(N=C1)Cl
• Peso molecular: 128.56
• Reaxy-Rn: 108732
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - 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 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
• 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

• Punto de fusión (°C): 94 °C
• Peso molecular: 128.560 g/mol
• XLogP3: 1.500
• 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: 68.800
• 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