5-Bromo-2-isopropoxypyrimidine - ≥98% , CAS No.121487-12-5

CAS: 121487-12-5 Cat. No.: B586638 Peso molecular: 217.06

GRADE & PURITY ≥98%

Synonyms

Pyrimidine, 5-bromo-2-(1-methylethoxy)- | 5-BROMO-2-(PROPAN-2-YLOXY)PYRIMIDINE | SY104695 | 5-Bromo-2-isoproxypyrimidine | DTXSID90557876 | 5-Bromo-2-[(propan-2-yl)oxy]pyrimidine | 2-isopropoxy-5-bromo-pyrimidine | 5-bromo-2-propan-2-yloxypyrimidine | FT-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

Pyrimidine, 5-bromo-2-(1-methylethoxy)- | 5-BROMO-2-(PROPAN-2-YLOXY)PYRIMIDINE | SY104695 | 5-Bromo-2-isoproxypyrimidine | DTXSID90557876 | 5-Bromo-2-[(propan-2-yl)oxy]pyrimidine | 2-isopropoxy-5-bromo-pyrimidine | 5-bromo-2-propan-2-yloxypyrimidine | FT-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)OC1=NC=C(C=N1)Br
• IUPAC Name: 5-bromo-2-propan-2-yloxypyrimidine
• InChIKey: BEBHDGQMLLXGDG-UHFFFAOYSA-N
• INCHI: 1S/C7H9BrN2O/c1-5(2)11-7-9-3-6(8)4-10-7/h3-5H,1-2H3
• Isómeros SMILES: CC(C)OC1=NC=C(C=N1)Br
• Peso molecular: 217.06
• Reaxy-Rn: 5928850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5928850&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Alkyl aryl ether - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 217.060 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.99 Da
• Monoisotopic Mass: 215.99 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 113.000
• 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