4,6-Difluoropyrimidine - ≥98% , CAS No.2802-62-2

CAS: 2802-62-2 Cat. No.: D478925 Summenformel: C₄H₂F₂N₂ Molekulargewicht: 116.07 EG-Nummer: 808-946-3

GRADE & PURITY ≥98%

Synonyms

SCHEMBL394820 | 4,6- Difluoropyrimidine | EN300-112253 | DTXSID80182297 | 4,6-Difluoropyrimidine, AldrichCPR | BBL103017 | difluoropyrimidine | FT-0678815 | 4, 6-difluoropyrimidine | SY035520 | Pyrimidine, 4,6-difluoro- | STL556826 | MFCD03412223 | A81928

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL394820 | 4,6- Difluoropyrimidine | EN300-112253 | DTXSID80182297 | 4,6-Difluoropyrimidine, AldrichCPR | BBL103017 | difluoropyrimidine | FT-0678815 | 4, 6-difluoropyrimidine | SY035520 | Pyrimidine, 4,6-difluoro- | STL556826 | MFCD03412223 | A81928

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504757130

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757130

Kanonisches Lächeln

C1=C(N=CN=C1F)F

IUPAC Name

4,6-difluoropyrimidine

InChIKey

MCLDVUCSDZGNRR-UHFFFAOYSA-N

INCHI

1S/C4H2F2N2/c5-3-1-4(6)8-2-7-3/h1-2H

Isomere SMILES

C1=C(N=CN=C1F)F

Molekulargewicht

116.07

Reaxy-Rn

606434

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606434&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 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 halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

• 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: 70.400
• 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