4-Ethyl-5-fluoro-6-hydroxypyrimidine - ≥95% , CAS No.137234-87-8

CAS: 137234-87-8 Cat. No.: E181348 Summenformel: C₆H₇FN₂O Molekulargewicht: 142.1 EG-Nummer: 422-460-5

GRADE & PURITY ≥95%

Synonyms

4(3H)-Pyrimidinone,6-ethyl-5-fluoro- | 4-Ethyl-5-fluoro-6-hydroxypyrimidine | 6-ETHYL-5-FLUORO-3,4-DIHYDROPYRIMIDIN-4-ONE | J-015983 | SCHEMBL2324216 | 6-Ethyl-5-fluoro-pyrimidin-4-ol | 6-ethyl-5-fluoropyrimidin-4-ol | P10549 | MFCD09833632 | SCHEMBL84077

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4(3H)-Pyrimidinone,6-ethyl-5-fluoro- | 4-Ethyl-5-fluoro-6-hydroxypyrimidine | 6-ETHYL-5-FLUORO-3,4-DIHYDROPYRIMIDIN-4-ONE | J-015983 | SCHEMBL2324216 | 6-Ethyl-5-fluoro-pyrimidin-4-ol | 6-ethyl-5-fluoropyrimidin-4-ol | P10549 | MFCD09833632 | SCHEMBL84077

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488202845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202845
• Kanonisches Lächeln: CCC1=C(C(=O)NC=N1)F
• IUPAC Name: 4-ethyl-5-fluoro-1H-pyrimidin-6-one
• InChIKey: ZEMRCKIJEFNNCO-UHFFFAOYSA-N
• INCHI: 1S/C6H7FN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
• Isomere SMILES: CCC1=C(C(=O)NC=N1)F
• Molekulargewicht: 142.1
• Reaxy-Rn: 7633907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7633907&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: Pyrimidones Hydropyrimidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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: 142.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.054 Da
• Monoisotopic Mass: 142.054 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 220.000
• 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

Häufig gestellte Fragen

How is this product shipped?

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

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

The CAS Number is 137234-87-8, the molecular formula is C6H7FN2O, and the molecular weight is 142.1 g/mol. InChIKey ZEMRCKIJEFNNCO-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.