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

CAS: 2802-61-1 Cat. No.: D169237 Summenformel: C₄H₂F₂N₂ Molekulargewicht: 116.07 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488187964
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CN=C(N=C1F)F
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Ebene5 Halopyrimidines
          • Ebene6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 20/D 1.432
• Flammpunkt (°F): 105.8 °F
• Flammpunkt (°C): 41 °C
• Siedepunkt (°C): 118-120 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2802-61-1, the molecular formula is C4H2F2N2, and the molecular weight is 116.07 g/mol. InChIKey JZSYSXZDIQUOGP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.