(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid (Contains varying amounts of anhydride) - ≥96% , CAS No.847818-62-6

CAS: 847818-62-6 Cat. No.: B725647 Peso molecular: 153.98 Número EC: 800-917-3

GRADE & PURITY ≥96%

Synonyms

Boronicacid,B-(1,3,5-trimethyl-1H-pyrazol-4-yl)- | 1,3,5-Trimethyl-1H-pyrazol-4-ylboronicacid | 1,3,5-Trimethylpyrazole-4-boronicacid | (1,3,5-Trimethylpyrazol-4-yl)boronicAcid | Boronicacid,B-(1,3,5-trimethyl-1H-pyrazol-4- | 1,3,5-trimethypyrazole-4-boro

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Boronicacid, B-(1, 3, 5-trimethyl-1H-pyrazol-4-yl)- | 1, 3, 5-Trimethyl-1H-pyrazol-4-ylboronicacid | 1, 3, 5-Trimethylpyrazole-4-boronicacid | (1, 3, 5-Trimethylpyrazol-4-yl)boronicAcid | Boronicacid, B-(1, 3, 5-trimethyl-1H-pyrazol-4- | 1, 3, 5-trimethypyrazole-4-boro

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C(N(N=C1C)C)C)(O)O
• IUPAC Name: (1,3,5-trimethylpyrazol-4-yl)boronic acid
• InChIKey: AWOUMBMZDWJMGM-UHFFFAOYSA-N
• INCHI: 1S/C6H11BN2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h10-11H,1-3H3
• Isómeros SMILES: B(C1=C(N(N=C1C)C)C)(O)O
• CAS alternativo: 1162262-38-5
• Peso molecular: 153.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three 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

• Peso molecular: 153.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.091 Da
• Monoisotopic Mass: 154.091 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 145.000
• 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

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