4-Chloro-5-fluoro-2-methoxypyrimidine - ≥98% , CAS No.1801-06-5

CAS: 1801-06-5 Cat. No.: C191644 Summenformel: C₅H₄ClFN₂O Molekulargewicht: 162.55 EG-Nummer: 881-158-5

GRADE & PURITY ≥98%

Synonyms

MFCD09834963 | Pyrimidine, 4-chloro-5-fluoro-2-methoxy- | SGXQCZHNMNMMEG-UHFFFAOYSA-N | DTXSID10702220 | A852016 | AKOS006328324 | EN300-100887 | SY107908 | 4-CHLORO-5-FLUORO-2-METHOXYPYRIMIDINE | 4-Chloro-5-fluoro-2-methoxy-pyrimidine | SCHEMBL1369268 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

MFCD09834963 | Pyrimidine, 4-chloro-5-fluoro-2-methoxy- | SGXQCZHNMNMMEG-UHFFFAOYSA-N | DTXSID10702220 | A852016 | AKOS006328324 | EN300-100887 | SY107908 | 4-CHLORO-5-FLUORO-2-METHOXYPYRIMIDINE | 4-Chloro-5-fluoro-2-methoxy-pyrimidine | SCHEMBL1369268 |

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

• Kanonisches Lächeln: COC1=NC=C(C(=N1)Cl)F
• IUPAC Name: 4-chloro-5-fluoro-2-methoxypyrimidine
• InChIKey: SGXQCZHNMNMMEG-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClFN2O/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3
• Isomere SMILES: COC1=NC=C(C(=N1)Cl)F
• Molekulargewicht: 162.55
• Reaxy-Rn: 879476
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879476&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: Alkyl aryl ethers Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen 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

• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 162.550 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 162 Da
• Monoisotopic Mass: 162 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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