2,4-Dichloro-6-methylpyrimidine-5-carbonitrile - ≥97% , CAS No.56035-64-4

CAS: 56035-64-4 Cat. No.: D185216 Peso molecular: 188.01 Número EC: 854-295-3

GRADE & PURITY ≥97%

Synonyms

EN300-1581803 | NSC521707 | NSC-521707 | AKOS015892458 | Z1255436073 | 2-(3-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ETHYLAMINE | 2,4-dichloro-6-methyl-5-Pyrimidinecarbonitrile | MFCD12198893 | SY005862 | SB57492 | 2,4-Dichloro-6-methyl-pyrimidine-5-carbonitrile | 2

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

EN300-1581803 | NSC521707 | NSC-521707 | AKOS015892458 | Z1255436073 | 2-(3-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ETHYLAMINE | 2, 4-dichloro-6-methyl-5-Pyrimidinecarbonitrile | MFCD12198893 | SY005862 | SB57492 | 2, 4-Dichloro-6-methyl-pyrimidine-5-carbonitrile | 2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=NC(=N1)Cl)Cl)C#N
• IUPAC Name: 2,4-dichloro-6-methylpyrimidine-5-carbonitrile
• InChIKey: YQBPLKJZELWYDH-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2N3/c1-3-4(2-9)5(7)11-6(8)10-3/h1H3
• Isómeros SMILES: CC1=C(C(=NC(=N1)Cl)Cl)C#N
• Peso molecular: 188.01
• Reaxy-Rn: 610743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=610743&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 Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 188.010 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.97 Da
• Monoisotopic Mass: 186.97 Da
• Topological Polar Surface Area: 49.600 Ų
• Heavy Atom Count: 11
• 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