Vinylboronic anhydride pyridine complex - ≥95% , CAS No.442850-89-7

CAS: 442850-89-7 Cat. No.: V170380 Molecular Weight: 240.67 EC Number: 629-260-9 PubChem CID: 2734806

GRADE & PURITY ≥95%

Synonyms

SY235269 | trivinylboroxine pyridine | 2,4,6-Trivinylcyclotriboroxane Pyridine | Pyridine--2,4,6-triethenyl-1,3,5,2,4,6-trioxatriborinane (1/1) | 2,4,6-triethenyl-1,3,5,2,4,6-trioxatriborinane compound with pyridine | pyridine; triethenyl-1,3,5,2,4,6-trio

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SY235269 | trivinylboroxine pyridine | 2, 4, 6-Trivinylcyclotriboroxane Pyridine | Pyridine--2, 4, 6-triethenyl-1, 3, 5, 2, 4, 6-trioxatriborinane (1/1) | 2, 4, 6-triethenyl-1, 3, 5, 2, 4, 6-trioxatriborinane compound with pyridine | pyridine; triethenyl-1, 3, 5, 2, 4, 6-trio

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488192665
• Canonical Smiles: B1(OB(OB(O1)C=C)C=C)C=C.C1=CC=NC=C1
• IUPAC Name: pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
• InChIKey: YLHJACXHRQQNQR-UHFFFAOYSA-N
• INCHI: 1S/C6H9B3O3.C5H5N/c1-4-7-10-8(5-2)12-9(6-3)11-7;1-2-4-6-5-3-1/h4-6H,1-3H2;1-5H
• Isomeric SMILES: B1(OB(OB(O1)C=C)C=C)C=C.C1=CC=NC=C1
• WGK Germany: 3
• Alternate CAS: 95010-17-6
• PubChem CID: 2734806
• Molecular Weight: 240.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Organoboroxines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Organoboroxines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoboroxines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Boronic acid derivatives Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organoboroxine - Pyridine - Heteroaromatic compound - 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
• Description: This compound belongs to the class of organic compounds known as organoboroxines. These are organic compounds containing a boroxine ring B-substituted with an organyl 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

Chemical and Physical Properties

• Flash Point(°F): 176 °F
• Flash Point(°C): 80 °C
• Melt Point(°C): 49-53℃
• Molecular Weight: 240.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.125 Da
• Monoisotopic Mass: 241.125 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 182.000
• 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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