4-Chloro-2-ethoxy-5-fluoropyrimidine - ≥95% , CAS No.56076-20-1

CAS: 56076-20-1 Cat. No.: C193944 Formule: C₆H₆ClFN₂O Poids moléculaire: 176.58

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1369082 | 4-chloro-2-ethoxy-5-fluoropyrimidine | 4-chloro-2-ethoxy-5-fluoro-pyrimidine | DTXSID20376613 | AKOS006295078 | AMY103 | DS-7112 | SB57564 | FT-0755673 | A830910 | MFCD06410760

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SCHEMBL1369082 | 4-chloro-2-ethoxy-5-fluoropyrimidine | 4-chloro-2-ethoxy-5-fluoro-pyrimidine | DTXSID20376613 | AKOS006295078 | AMY103 | DS-7112 | SB57564 | FT-0755673 | A830910 | MFCD06410760

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CCOC1=NC=C(C(=N1)Cl)F
• IUPAC Name: 4-chloro-2-ethoxy-5-fluoropyrimidine
• InChIKey: BUVSCQCSEWBHDI-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClFN2O/c1-2-11-6-9-3-4(8)5(7)10-6/h3H,2H2,1H3
• Isomères SMILES: CCOC1=NC=C(C(=N1)Cl)F
• Poids moléculaire: 176.58
• Reaxy-Rn: 777961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=777961&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 176.570 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.015 Da
• Monoisotopic Mass: 176.015 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 127.000
• 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

Foire aux questions

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.

How should this product be stored?

Store at room temperature.

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 56076-20-1, the molecular formula is C6H6ClFN2O, and the molecular weight is 176.58 g/mol. InChIKey BUVSCQCSEWBHDI-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.