2-Chloro-4-(trifluoromethyl)pyrimidine - ≥98% , CAS No.33034-67-2

CAS: 33034-67-2 Cat. No.: C121637 Peso molecular: 182.53 Beilstein Registry Number: 23(5)5,381 Número EC: 628-303-9

GRADE & PURITY ≥98%

Synonyms

MFCD00115111 | PS-8522 | FT-0611744 | 2-chloro-4-trifluoromethylpyrimidine | 2-Chloro-4-trifluoromethyl-pyrimidine | 4-Trifluoromethyl-2-chloropyrimidine | W-202356 | BBL103675 | F1905-7191 | STL557485 | 2-Chloro-4-(trifluoromethyl)pyrimidine | 2-chloro-4

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

MFCD00115111 | PS-8522 | FT-0611744 | 2-chloro-4-trifluoromethylpyrimidine | 2-Chloro-4-trifluoromethyl-pyrimidine | 4-Trifluoromethyl-2-chloropyrimidine | W-202356 | BBL103675 | F1905-7191 | STL557485 | 2-Chloro-4-(trifluoromethyl)pyrimidine | 2-chloro-4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=C(N=C1C(F)(F)F)Cl
• IUPAC Name: 2-chloro-4-(trifluoromethyl)pyrimidine
• InChIKey: FZRBTBCCMVNZBD-UHFFFAOYSA-N
• INCHI: 1S/C5H2ClF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
• Isómeros SMILES: C1=CN=C(N=C1C(F)(F)F)Cl
• WGK Alemania: 3
• Peso molecular: 182.53
• Beilstein: 23(5)5,381
• Reaxy-Rn: 957607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=957607&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 Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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: Air Sensitive
• Índice de refracción: 1.45
• Punto de inflamación (°F): 120.2 °F
• Punto de inflamación (°C): 49 °C
• Punto de ebullición (°C): 60°C/15mmHg
• Punto de fusión (°C): 49°C
• Peso molecular: 182.530 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 181.986 Da
• Monoisotopic Mass: 181.986 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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