Potassium Tris(1-pyrazolyl)borohydride - ≥97%(T) , CAS No.18583-60-3

CAS: 18583-60-3 Cat. No.: P160646 Molecular Weight: 252.13 EC Number: 678-431-4 PubChem CID: 23662148

GRADE & PURITY ≥97%(T)

Synonyms

AS-81698 | Potassium tri(1-pyrazolyl)borohydride | Potassium hydro-tris(1-pyrazolyl)borate | Potassium Hydrotris(1-pyrazolyl)borate | potassium;tri(pyrazol-1-yl)boron(1-) | FT-0765446 | AKOS015854085 | J-011914 | (T-4)-Potassium Hydrotris(1H-pyrazolato-ka

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AS-81698 | Potassium tri(1-pyrazolyl)borohydride | Potassium hydro-tris(1-pyrazolyl)borate | Potassium Hydrotris(1-pyrazolyl)borate | potassium;tri(pyrazol-1-yl)boron(1-) | FT-0765446 | AKOS015854085 | J-011914 | (T-4)-Potassium Hydrotris(1H-pyrazolato-ka

Specifications & Purity

≥97%(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(T)

Names and Identifiers

• Canonical Smiles: [B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.[K+]
• InChIKey: LGSDBILUMDMIHT-UHFFFAOYSA-N
• INCHI: 1S/C9H9BN6.K/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;/h1-9H;/q-1;+1
• Isomeric SMILES: [B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.[K+]
• PubChem CID: 23662148
• Molecular Weight: 252.13
• Reaxy-Rn: 8803890

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic alkali metal salt - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water
• Sensitivity: air & heat & light sensitive
• Molecular Weight: 251.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 251.062 Da
• Monoisotopic Mass: 251.062 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 207.000
• 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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