2,4-Difluoropyrimidine - ≥97% , CAS No.2802-61-1

CAS: 2802-61-1 Cat. No.: D169237 Peso molecular: 116.07 Número EC: 631-074-8

GRADE & PURITY ≥97%

Synonyms

difluropyrimidine | NSC331813 | NSC-331813 | STL554323 | BCP07954 | NSC 331813 | MS-20032 | DTXSID20182296 | AMY136 | MFCD04972830 | SB57370 | BBL100529 | 2-(PHENYLTHIO)PYRIDINE-3-CARBONYLCHLORIDE | AKOS005254452 | FT-0677608 | A819287 | J-016950 | Pyrimi

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application：

2,4-Difluoropyrimidine can be used as a starting material to synthesize:

·3-Pyrimidin-4-yl-oxazolidin-2-one derivatives as mutant isocitrate dehydrogenase (IDH1) inhibitors.

·N,N′-(1,4-phenylenebis(methylene))bis(2-fluoropyrimidin-4-amine) as chemokine receptor type 4 antagonists.

Specifications

Sinónimos

difluropyrimidine | NSC331813 | NSC-331813 | STL554323 | BCP07954 | NSC 331813 | MS-20032 | DTXSID20182296 | AMY136 | MFCD04972830 | SB57370 | BBL100529 | 2-(PHENYLTHIO)PYRIDINE-3-CARBONYLCHLORIDE | AKOS005254452 | FT-0677608 | A819287 | J-016950 | Pyrimi

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488187964
• Sonrisas canónicas: C1=CN=C(N=C1F)F
• IUPAC Name: 2,4-difluoropyrimidine
• InChIKey: JZSYSXZDIQUOGP-UHFFFAOYSA-N
• INCHI: 1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
• Isómeros SMILES: C1=CN=C(N=C1F)F
• WGK Alemania: 3
• Peso molecular: 116.07
• Reaxy-Rn: 742196
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742196&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 fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - 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
• Índice de refracción: 20/D 1.432
• Punto de inflamación (°F): 105.8 °F
• Punto de inflamación (°C): 41 °C
• Punto de ebullición (°C): 118-120 °C
• Peso molecular: 116.070 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 116.019 Da
• Monoisotopic Mass: 116.019 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.400
• 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