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

CAS: 2802-61-1 Cat. No.: D169237 分子式: C₄H₂F₂N₂ 分子量: 116.07 EC番号: 631-074-8

グレード＆純度 ≥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

Room temperature,Argon charged

Shipped In

Normal

概要

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.

仕様

同義語

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

仕様と純度

≥97%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488187964

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187964

カノニカル・スマイル

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

異性体SMILES

C1=CN=C(N=C1F)F

WGKドイツ

3

分子量

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
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 屈折率: 20/D 1.432
• 引火点（°F）: 105.8 °F
• 引火点（°C）: 41 °C
• 沸点（°C）: 118-120 °C
• 分子量: 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

よくある質問

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.