[2,2'-Bipyridine]-5,5'-diMethanol - ≥98% , CAS No.63361-65-9

CAS: 63361-65-9 Cat. No.: B304221 Summenformel: C₁₂H₁₂N₂O₂ Molekulargewicht: 216.24

GRADE & PURITY ≥98%

Synonyms

2,2'-Bipyridine]-5,5'-diyldimethanol

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

2,2'-Bipyridine]-5,5'-diyldimethanol

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528755086

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755086

Kanonisches Lächeln

C1=CC(=NC=C1CO)C2=NC=C(C=C2)CO

IUPAC Name

[6-[5-(hydroxymethyl)pyridin-2-yl]pyridin-3-yl]methanol

InChIKey

DVXJDRMCWWERRO-UHFFFAOYSA-N

INCHI

1S/C12H12N2O2/c15-7-9-1-3-11(13-5-9)12-4-2-10(8-16)6-14-12/h1-6,15-16H,7-8H2

Isomere SMILES

C1=CC(=NC=C1CO)C2=NC=C(C=C2)CO

Molekulargewicht

216.24

Reaxy-Rn

781726

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=781726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 458.7±45.0℃(Predicted)
• Schmelzpunkt (°C): 158-161℃
• Molekulargewicht: 216.240 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 191.000
• 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