4-(2-Pyridyl)benzaldehyde - ≥95% , CAS No.127406-56-8

CAS: 127406-56-8 Cat. No.: P160242 Molecular Weight: 183.21 Beilstein Registry Number: 21(3/4)4127 EC Number: 627-948-3 PubChem CID: 1515240

GRADE & PURITY ≥95%

Synonyms

Z1143356169 | SCHEMBL6290 | (2-pyridyl)benzaldehyde | AC-1764 | 2-(p-Formylphenyl)pyridine | 4-(2-pyridinyl) benzaldehyde | Benzaldehyde, 4-(2-pyridinyl)- | HY-W002855 | 4-(2-Pyridyl)benzaldehyde | 4-(2-pyridyl)-benzaldehyde | 4-(Pyridin-2-Yl)Benzaldehyde

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

4-(2-Pyridyl)benzaldehyde is a p-substituted benzaldehyde.
4-(2-Pyridyl)benzaldehyde may be used as a ligand for the synthesis of bis-(2-phenylpyridyl)-2-(4′-formylphenyl)pyridineiridium(III), a novel phosphorescent iridium(III) complex.

Specifications

Synonyms

Z1143356169 | SCHEMBL6290 | (2-pyridyl)benzaldehyde | AC-1764 | 2-(p-Formylphenyl)pyridine | 4-(2-pyridinyl) benzaldehyde | Benzaldehyde, 4-(2-pyridinyl)- | HY-W002855 | 4-(2-Pyridyl)benzaldehyde | 4-(2-pyridyl)-benzaldehyde | 4-(Pyridin-2-Yl)Benzaldehyde

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488191917
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191917
• Canonical Smiles: C1=CC=NC(=C1)C2=CC=C(C=C2)C=O
• IUPAC Name: 4-pyridin-2-ylbenzaldehyde
• InChIKey: NMLYGLCBSFKJFI-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-9H
• Isomeric SMILES: C1=CC=NC(=C1)C2=CC=C(C=C2)C=O
• WGK Germany: 3
• PubChem CID: 1515240
• Molecular Weight: 183.21
• Beilstein: 21(3/4)4127
• Reaxy-Rn: 120294

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzoyl derivatives Benzaldehydes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Benzaldehyde - Benzoyl - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Aldehyde - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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: Soluble in Chloroform
• Sensitivity: Air Sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Melt Point(°C): 50-52°C
• Molecular Weight: 183.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.068 Da
• Monoisotopic Mass: 183.068 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 185.000
• 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

References

1. Sili Yi, Zhen Lu, Yandai Lin, Jun Wang, Ziwen Qiao, Rongkai Shen, Jin Zhang, Linxi Hou.  (2019)  A novel mitochondria-targeted phosphorescence probe for hypochlorite ions detection in living cells.  TALANTA,      [PMID:31892012] [10.1016/j.talanta.2019.120516]