Pyrimidine-5-boronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.109299-78-7

CAS: 109299-78-7 Cat. No.: P102586 Peso molecular: 123.91 Número EC: 673-929-8

GRADE & PURITY ≥95%

Synonyms

F0001-0212 | EN300-152345 | pyrimid-5-ylboronic acid | pyrimidin-5-yl-5-boronic acid | 5-pyrimidineboronic acid | AM20080046 | DTXSID70383574 | pyrimidine 5-boronic acid | 5-Pyrimidinylboronic acid | 5-pyrimidinyl-boronic acid | SCHEMBL9139 | BCP27091 | 5

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

F0001-0212 | EN300-152345 | pyrimid-5-ylboronic acid | pyrimidin-5-yl-5-boronic acid | 5-pyrimidineboronic acid | AM20080046 | DTXSID70383574 | pyrimidine 5-boronic acid | 5-Pyrimidinylboronic acid | 5-pyrimidinyl-boronic acid | SCHEMBL9139 | BCP27091 | 5

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504762159
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762159
• Sonrisas canónicas: B(C1=CN=CN=C1)(O)O
• IUPAC Name: pyrimidin-5-ylboronic acid
• InChIKey: HZFPPBMKGYINDF-UHFFFAOYSA-N
• INCHI: 1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H
• Isómeros SMILES: B(C1=CN=CN=C1)(O)O
• Peso molecular: 123.91
• Reaxy-Rn: 7804717
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7804717&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: Pyrimidines and pyrimidine derivatives
• Alternative Parents: Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organoboron compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
• 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

• Solubilidad: Soluble in Ether, MeOH, DMSO, THF.
• Sensibilidad: Heat & Air Sensitive
• Punto de fusión (°C): >300°C
• Peso molecular: 123.910 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 124.044 Da
• Monoisotopic Mass: 124.044 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.600
• 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

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