Potassium 2-methoxypyrimidin-5-yl-5-trifluoroborate - ≥90% , CAS No.1111732-99-0

CAS: 1111732-99-0 Cat. No.: P165927 Peso molecular: 216.01 Número EC: 688-554-5 PubChem CID: 25213120

GRADE & PURITY ≥90%

Synonyms

1111732-99-0|Potassium trifluoro(2-methoxypyrimidin-5-yl)borate|potassium;trifluoro-(2-methoxypyrimidin-5-yl)boranuide|potassium trifluoro(2-methoxypyrimidin-5-yl)boranuide|DTXSID00649130|MFCD09993118|EN300-4266735|Potassium 2-methoxypyrimidin-5-yltrifluo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1111732-99-0 | Potassium trifluoro(2-methoxypyrimidin-5-yl)borate | potassium;trifluoro-(2-methoxypyrimidin-5-yl)boranuide | potassium trifluoro(2-methoxypyrimidin-5-yl)boranuide | DTXSID00649130 | MFCD09993118 | EN300-4266735 | Potassium 2-methoxypyrimidin-5-yltrifluo

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: [B-](C1=CN=C(N=C1)OC)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-(2-methoxypyrimidin-5-yl)boranuide
• InChIKey: ACPITJHSWGPRRF-UHFFFAOYSA-N
• INCHI: 1S/C5H5BF3N2O.K/c1-12-5-10-2-4(3-11-5)6(7,8)9;/h2-3H,1H3;/q-1;+1
• Isómeros SMILES: [B-](C1=CN=C(N=C1)OC)(F)(F)F.[K+]
• WGK Alemania: 3
• PubChem CID: 25213120
• Peso molecular: 216.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Boronic acid derivatives Organic metalloid salts Organic metal halides Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Boronic acid derivative - Organic metal halide - Organoheterocyclic compound - Organic metalloid salt - Organic alkali metal salt - Azacycle - Organic salt - Hydrocarbon derivative - Organic potassium salt - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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: 216.010 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 216.008 Da
• Monoisotopic Mass: 216.008 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• 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: 2

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