4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine - ≥97% , CAS No.863422-41-7

CAS: 863422-41-7 Cat. No.: P634753 Molecular Weight: 206.05 EC Number: 818-712-2 PubChem CID: 45787281

GRADE & PURITY ≥97%

Synonyms

4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDAZINE | PYRIDAZIN-4-BORONIC ACID PINACOL ESTER | Z1509596084 | 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridazine | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine, AldrichCPR | AKOS015943462

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-(TETRAMETHYL-1, 3, 2-DIOXABOROLAN-2-YL)PYRIDAZINE | PYRIDAZIN-4-BORONIC ACID PINACOL ESTER | Z1509596084 | 4-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-pyridazine | 4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridazine, AldrichCPR | AKOS015943462

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CN=NC=C2
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• InChIKey: GVGODOIZAKSPFC-UHFFFAOYSA-N
• INCHI: 1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-6-12-13-7-8/h5-7H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=NC=C2
• Alternate CAS: 863422-41-7
• PubChem CID: 45787281
• Molecular Weight: 206.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazine - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, 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

Chemical and Physical Properties

• Molecular Weight: 206.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.123 Da
• Monoisotopic Mass: 206.123 Da
• Topological Polar Surface Area: 44.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 230.000
• 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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