4-Methylpyridine-2-carboxaldehyde - ≥97% , CAS No.53547-60-7

CAS: 53547-60-7 Cat. No.: M124675 Molecular Weight: 121.14 EC Number: 637-320-0

GRADE & PURITY ≥97%

Synonyms

4-methylpicolinaldehyde | DTXSID30968306 | AMY39198 | 4-methylpyridine-2-carboxaldehyde | MFCD07367933 | 2-formyl-4-picoline, AldrichCPR | 4-Methyl-pyridine-2-carbaldehyde | 4-methylpyridine-2-carbaldehyde | STL556089 | SY022270 | AC-33345 | AKOS006220672

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-methylpicolinaldehyde | DTXSID30968306 | AMY39198 | 4-methylpyridine-2-carboxaldehyde | MFCD07367933 | 2-formyl-4-picoline, AldrichCPR | 4-Methyl-pyridine-2-carbaldehyde | 4-methylpyridine-2-carbaldehyde | STL556089 | SY022270 | AC-33345 | AKOS006220672

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765192
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765192
• Canonical Smiles: CC1=CC(=NC=C1)C=O
• IUPAC Name: 4-methylpyridine-2-carbaldehyde
• InChIKey: UAKMHSRHDUBNJR-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO/c1-6-2-3-8-7(4-6)5-9/h2-5H,1H3
• Isomeric SMILES: CC1=CC(=NC=C1)C=O
• WGK Germany: 3
• Molecular Weight: 121.14
• Reaxy-Rn: 107360
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107360&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Methylpyridines Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridine carboxaldehyde - Methylpyridine - Aryl-aldehyde - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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

• Sensitivity: air sensitive
• Refractive Index: 1.531
• Flash Point(°F): 185 °F
• Flash Point(°C): 85 °C
• Molecular Weight: 121.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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